Molecule FYI-1016250

A

Molecule Summary:

ID: FYI-1016250
Names:
InChIKey: DMIJNTXLPASDGH-UHFFFAOYSA-N
SMILES: O=C1CCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCN1

Received at FYIcenter.com on: 2025-12-01

Molecule ID: FYI-1016250 Edit

Molecule Structure InChIKey: DMIJNTXLPASDGH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016250
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
    4.9589    7.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9531    7.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0297    7.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9829    7.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0160    7.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0353    8.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9647    7.7819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1716    7.7081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0645    8.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8747    9.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1718    8.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2549    7.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6392    6.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8930    5.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9968    4.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3348    2.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2915    2.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9561    1.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5714    1.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3194    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1721    1.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8086    1.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4208    1.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1456    2.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    3.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7952    4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8479    5.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1197    6.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0661    7.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016250-3D
FYIcenter.com

 75 75  0  0  0  0  0  0  0  0999 V2000
    4.5185   -5.0895   -7.6989 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4057   -4.2516   -7.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4405   -4.3952   -9.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0726   -4.6888  -11.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8622   -4.5928  -12.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9722   -4.6406  -14.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6356   -4.0445  -13.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485   -4.1414  -14.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227   -3.6012  -13.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9232   -3.4607  -12.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7288   -3.0657  -11.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3883   -3.2267  -10.9275 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6730   -2.4568  -10.5984 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1394   -2.2794  -10.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9374   -1.5479   -9.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4270   -1.2954  -10.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5702   -1.0036   -9.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1049   -1.3305   -9.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8333   -1.5160   -7.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3034   -1.7268   -7.9393 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1901   -1.8119   -6.8905 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3264   -2.2304   -7.1793 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9414   -1.3871   -5.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4828   -1.3113   -5.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7438   -0.9780   -3.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2986   -1.0665   -4.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0400   -1.2349   -3.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9378   -1.7870   -4.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1361   -3.2003   -5.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6231   -3.2150   -6.8734 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0237   -5.3111   -9.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1616   -3.6090   -9.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6185   -5.6308  -10.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3252   -3.6487  -11.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4120   -3.6372  -12.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6233   -5.3755  -12.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8806   -5.6615  -14.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4574   -4.0532  -14.8087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8226   -2.9814  -13.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4609   -4.5547  -12.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9884   -5.1712  -14.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1807   -3.5049  -15.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7571   -2.5794  -13.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7047   -4.2197  -12.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690   -4.4465  -13.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4767   -2.7293  -13.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3037   -2.3451   -9.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2988   -1.7058  -11.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5645   -3.2871  -10.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8780   -2.1691   -8.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4538   -0.5990   -9.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4143   -0.5109  -10.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6863   -2.1811  -10.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3936   -1.5734   -8.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5056    0.0363   -8.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5523   -0.5060   -9.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2486   -2.2215   -9.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3968   -2.3588   -7.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6374   -0.5931   -7.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7104   -2.1519   -8.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4322   -0.4274   -5.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4066   -2.1376   -4.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1028   -2.2869   -5.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1458   -0.5078   -5.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9867    0.0333   -3.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9496   -1.6932   -3.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2871   -1.9619   -4.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1432   -0.2126   -5.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7332   -0.2520   -3.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1719   -1.8871   -2.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0529   -1.9076   -3.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6953   -0.9799   -5.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8308   -3.8256   -4.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1549   -3.6832   -5.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2832   -2.3428   -7.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 43  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 45  1  0  0  0  0
 10 46  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 18  1  0  0  0  0
 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
 18 19  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 19 20  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
 20 21  1  0  0  0  0
 20 60  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
 24 25  1  0  0  0  0
 24 63  1  0  0  0  0
 24 64  1  0  0  0  0
 25 26  1  0  0  0  0
 25 65  1  0  0  0  0
 25 66  1  0  0  0  0
 26 27  1  0  0  0  0
 26 67  1  0  0  0  0
 26 68  1  0  0  0  0
 27 28  1  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 28 29  1  0  0  0  0
 28 71  1  0  0  0  0
 28 72  1  0  0  0  0
 29 30  1  0  0  0  0
 29 73  1  0  0  0  0
 29 74  1  0  0  0  0
 30 75  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-12-09, 762👍, 0💬