Molecule FYI-1004195

Home > Molecule

A

Molecule Summary:

ID: FYI-1004195
Names:
InChIKey: PFMRYBGKTDMWDZ-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCNCCCN(CCO)CCO

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004195 Edit

Molecule Structure InChIKey: PFMRYBGKTDMWDZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCNCCCN(CCO)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1004195
FYIcenter.com

 29 28  0  0  0  0  0  0  0  0999 V2000
   30.3109    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6735    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004195-3D
FYIcenter.com

 83 82  0  0  0  0  0  0  0  0999 V2000
    0.8248    0.0032   -0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447   -0.0050   -0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8805   -0.2417    1.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4057   -0.2470    1.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9308   -0.4867    2.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4541   -0.4946    2.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9726   -0.7314    4.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4946   -0.7345    4.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0069   -0.9700    5.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5273   -0.9755    5.6905 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0335   -1.2120    7.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5524   -1.2177    7.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0618   -1.4530    8.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5802   -1.4553    8.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1169   -1.6901    9.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6360   -1.6825    9.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2092   -1.9156   11.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7294   -1.9044   11.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2409   -2.1432   12.5708 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7026   -2.1202   12.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1836   -2.3638   14.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7141   -2.3610   14.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4406   -1.1226   13.7316 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.9410    0.0243   14.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5496    1.4073   14.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3523    1.7494   12.8755 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9048   -1.3134   13.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5311   -2.4846   13.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2359   -2.3992   11.7639 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4562    0.1744   -1.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342    0.7972    0.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274   -0.9544    0.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7160    0.9523   -0.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7092   -0.7888   -0.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5057   -1.1992    1.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5095    0.5416    2.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7841    0.7113    1.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7805   -1.0294    0.7321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5533   -1.4444    3.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5591    0.2963    3.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8352    0.4620    2.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8294   -1.2797    2.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5962   -1.6895    4.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5977    0.0515    4.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8738    0.2233    3.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8726   -1.5186    3.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6290   -1.9277    6.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6304   -0.1859    6.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9089   -0.0185    5.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059   -1.7602    5.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6535   -2.1695    7.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6560   -0.4274    7.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9332   -0.2608    6.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9308   -2.0022    6.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6855   -2.4106    8.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6875   -0.6679    9.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9527   -0.4971    8.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9509   -2.2379    7.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7541   -2.6510   10.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7521   -0.9088   10.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9927   -0.7218    9.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9937   -2.4628    9.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8530   -2.8772   11.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8548   -1.1347   11.9811 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0731   -0.9328   10.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0807   -2.6807   10.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9149   -3.0497   12.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0632   -1.1491   12.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1008   -2.8962   11.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8230   -3.3478   14.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7322   -1.6389   14.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0594   -3.1977   13.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9599   -2.6116   15.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0749   -0.1851   15.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8680    0.1372   14.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6190    1.4507   14.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0545    2.1703   14.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7002    0.9819   12.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1234   -1.4483   14.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4187   -0.4061   13.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1760   -3.4540   13.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6184   -2.4733   13.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.3769   -1.9408   11.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7  8  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
  9 10  1  0  0  0  0
  9 47  1  0  0  0  0
  9 48  1  0  0  0  0
 10 11  1  0  0  0  0
 10 49  1  0  0  0  0
 10 50  1  0  0  0  0
 11 12  1  0  0  0  0
 11 51  1  0  0  0  0
 11 52  1  0  0  0  0
 12 13  1  0  0  0  0
 12 53  1  0  0  0  0
 12 54  1  0  0  0  0
 13 14  1  0  0  0  0
 13 55  1  0  0  0  0
 13 56  1  0  0  0  0
 14 15  1  0  0  0  0
 14 57  1  0  0  0  0
 14 58  1  0  0  0  0
 15 16  1  0  0  0  0
 15 59  1  0  0  0  0
 15 60  1  0  0  0  0
 16 17  1  0  0  0  0
 16 61  1  0  0  0  0
 16 62  1  0  0  0  0
 17 18  1  0  0  0  0
 17 63  1  0  0  0  0
 17 64  1  0  0  0  0
 18 19  1  0  0  0  0
 18 65  1  0  0  0  0
 18 66  1  0  0  0  0
 19 20  1  0  0  0  0
 19 67  1  0  0  0  0
 20 21  1  0  0  0  0
 20 68  1  0  0  0  0
 20 69  1  0  0  0  0
 21 22  1  0  0  0  0
 21 70  1  0  0  0  0
 21 71  1  0  0  0  0
 22 23  1  0  0  0  0
 22 72  1  0  0  0  0
 22 73  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 74  1  0  0  0  0
 24 75  1  0  0  0  0
 25 26  1  0  0  0  0
 25 76  1  0  0  0  0
 25 77  1  0  0  0  0
 26 78  1  0  0  0  0
 27 28  1  0  0  0  0
 27 79  1  0  0  0  0
 27 80  1  0  0  0  0
 28 29  1  0  0  0  0
 28 81  1  0  0  0  0
 28 82  1  0  0  0  0
 29 83  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 1828👍, 0💬