Molecule FYI-1016133

Home > Molecule

A

Molecule Summary:

ID: FYI-1016133
Names:
InChIKey: ILKIORHURAMVGQ-UHFFFAOYSA-N
SMILES: O=C1CCCCCCCCCCC(=O)NCCCCCCN1

Received at FYIcenter.com on: 2025-11-25

Molecule ID: FYI-1016133 Edit

Molecule Structure InChIKey: ILKIORHURAMVGQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCCCCCCCC(=O)NCCCCCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016133
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.9389    2.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893    1.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4919    1.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7348    1.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9222    2.0837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1644    1.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1185    3.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249    5.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4914    6.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4421    2.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8199    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9603    5.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0728    6.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8812    7.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5735    8.4706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6666    8.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8411    9.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3991   10.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6287   11.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7444   12.7472    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  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 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
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016133-3D
FYIcenter.com

 56 56  0     0  0  0  0  0  0999 V2000
    4.6710    0.4793   -1.5054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0189   -1.5739    0.8956 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1372   -0.4043    0.5773 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6594   -1.8544   -0.9678 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4691    3.1586    0.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8098    2.7665    0.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2285    1.9797   -0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8001    2.1319   -0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7085    2.2167   -0.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0512    1.6328    0.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5778    2.1973    0.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0463    0.8883   -0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8892   -2.4866    1.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5367   -3.1143    0.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8209   -2.3494   -0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4150   -2.1371   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0613    1.9952    0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4563   -0.2460   -1.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1986   -1.8066    0.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7339   -2.8135   -0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3338    0.6222   -0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7037   -1.2825   -0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1659    3.5718    1.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6259    3.9608   -0.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2630    3.6585    1.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6132    2.0667    1.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1288    1.0756    0.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2766    1.7736   -1.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0783    2.8571   -0.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3180    1.2889   -0.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8436    3.1649   -1.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0281    1.4223   -1.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5678    2.4844    1.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7534    0.9763    1.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2314    1.4080    1.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    3.1463    1.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5188    1.6098   -0.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8480    0.4889    0.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7328   -1.5120    1.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3779   -3.1286    1.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6895   -4.0024    0.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0642   -3.4593    1.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661   -1.7008   -0.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9545   -3.3373   -0.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6129   -1.2878    0.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0468   -1.7257   -0.9212 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6524    2.1017    1.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4137    2.7567   -0.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8059    0.1701   -1.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2678   -0.7701   -1.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6154   -2.3564    1.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8851   -1.9173   -0.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5660   -3.5930   -1.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1927   -3.2759    0.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8975   -0.1805    1.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028   -1.5785   -1.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2 22  2  0  0  0  0
  3 19  1  0  0  0  0
  3 21  1  0  0  0  0
  3 55  1  0  0  0  0
  4 20  1  0  0  0  0
  4 22  1  0  0  0  0
  4 56  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 17  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 18  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 19  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 20  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 21  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 22  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 178👍, 0💬