Molecule Editor

Molecule ID: FYI-1015939 Edit

Molecule Structure InChIKey: PFGURWYRJKQMHC-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCC(=O)NCCCCCCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1015939
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   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  2  0  0  0  0
  8  6  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  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015939-3D
FYIcenter.com

 44 43  0     0  0  0  0  0  0999 V2000
    0.9507   -2.0616   -1.0852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3855   -1.6583    0.7710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6518    2.9765    0.2016 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1862   -0.6426    0.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5435   -1.8088   -0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2979    0.0565   -0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9958    0.6221    0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0162   -0.3411   -0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4801   -2.5256    0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2719    0.7883   -0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9631    1.2021    0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7462   -0.5524    0.6339 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2696    1.7129    0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483   -1.4992   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0432    1.8759   -0.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5526    1.8554   -0.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4211    0.0997    0.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5998   -1.0132    1.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0987   -1.4334   -1.3567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3187   -2.5312   -0.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8792    0.4428   -1.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0606   -0.6827   -0.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5155    1.5980    0.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2508    0.2411    1.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5067   -1.3089   -0.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7489    0.0451   -1.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9143   -2.9139    1.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0846   -3.3752   -0.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0203    1.1934   -1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7344   -0.1931   -0.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4013    0.8128    1.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2013    1.9380    0.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2452    0.4105    0.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0082   -0.9573    1.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5115    1.3191    1.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8216    2.7031    0.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4604   -1.1473    1.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6078    2.2662   -1.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8170    1.1506   -0.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3506    2.2759   -1.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0430    0.8856   -0.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2508    2.5218    0.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0851    2.6208    1.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4040    3.3810   -0.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
  2 37  1  0  0  0  0
  3 15  1  0  0  0  0
  3 43  1  0  0  0  0
  3 44  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 11  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 12  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 15  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 16  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
M  END
$$$$