Molecule FYI-1004192

Home > Molecule

A

Molecule Summary:

ID: FYI-1004192
Names:
InChIKey: LFCJSESMPHNHSO-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCN(CCO)CCCN

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

Molecule ID: FYI-1004192 Edit

Molecule Structure InChIKey: LFCJSESMPHNHSO-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCN(CCO)CCCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1004192
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
   26.6735    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    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  5  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004192-3D
FYIcenter.com

 76 75  0  0  0  0  0  0  0  0999 V2000
    0.8987    0.2603    0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    0.2369    0.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9526    0.9471   -1.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4764    0.9216   -1.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9999    1.6315   -2.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5218    1.6061   -2.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0391    2.3157   -3.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5595    2.2924   -3.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0802    2.9980   -4.9375 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5960    2.9642   -4.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1343    3.6695   -6.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6549    3.6206   -6.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2127    4.3190   -7.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7351    4.2685   -7.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2787    4.9690   -8.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7997    4.9211   -8.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2854    5.6439   -9.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8085    5.6432  -10.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4695    4.3155  -10.1587 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9566    3.5412  -11.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5298    2.1229  -11.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3369    1.4040  -10.2519 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9368    4.5050  -10.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5962    5.2519   -9.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3582    4.5652   -7.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0147    5.3093   -6.6605 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5302   -0.2529    1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4837   -0.2417   -0.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5251    1.2890    0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7651   -0.8028    0.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8047    0.7207    1.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004    1.9865   -1.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5585    0.4634   -2.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310   -0.1152   -1.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8728    1.4097   -0.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6482    2.6713   -2.3972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6027    1.1463   -3.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8780    0.5695   -2.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    2.0945   -1.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6853    3.3539   -3.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6435    1.8274   -4.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9162    1.2544   -3.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9576    2.7820   -2.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7278    4.0366   -4.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6831    2.5081   -5.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9481    1.9249   -4.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9906    3.4504   -4.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7938    4.7122   -6.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7435    3.1884   -7.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9914    2.5768   -6.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0410    4.1011   -5.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8742    5.3624   -7.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8274    3.8371   -8.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0728    3.2252   -7.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1198    4.7533   -6.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9404    6.0125   -8.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8694    4.4923   -9.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1352    3.8777   -8.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2171    5.3997   -7.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9536    6.6902   -9.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8096    5.2257  -10.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1787    6.1928   -9.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0709    6.2368  -10.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1168    4.0913  -12.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8768    3.4046  -11.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5955    2.1235  -11.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0100    1.5879  -12.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3889    2.0912   -9.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1807    5.0390  -11.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4328    3.5307  -10.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2586    6.2942   -9.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6751    5.3019   -9.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7572    3.5452   -7.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2880    4.4995   -7.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0142    5.3540   -6.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9052    4.7849   -5.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 48  1  0  0  0  0
 11 49  1  0  0  0  0
 12 13  1  0  0  0  0
 12 50  1  0  0  0  0
 12 51  1  0  0  0  0
 13 14  1  0  0  0  0
 13 52  1  0  0  0  0
 13 53  1  0  0  0  0
 14 15  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  1  0  0  0  0
 15 16  1  0  0  0  0
 15 56  1  0  0  0  0
 15 57  1  0  0  0  0
 16 17  1  0  0  0  0
 16 58  1  0  0  0  0
 16 59  1  0  0  0  0
 17 18  1  0  0  0  0
 17 60  1  0  0  0  0
 17 61  1  0  0  0  0
 18 19  1  0  0  0  0
 18 62  1  0  0  0  0
 18 63  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 64  1  0  0  0  0
 20 65  1  0  0  0  0
 21 22  1  0  0  0  0
 21 66  1  0  0  0  0
 21 67  1  0  0  0  0
 22 68  1  0  0  0  0
 23 24  1  0  0  0  0
 23 69  1  0  0  0  0
 23 70  1  0  0  0  0
 24 25  1  0  0  0  0
 24 71  1  0  0  0  0
 24 72  1  0  0  0  0
 25 26  1  0  0  0  0
 25 73  1  0  0  0  0
 25 74  1  0  0  0  0
 26 75  1  0  0  0  0
 26 76  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-05, 2978👍, 0💬