Molecule Editor

Molecule ID: FYI-1014530 Edit

Molecule Structure InChIKey: ATHGHQPFGPMSJY-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCCNCCCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1014530
FYIcenter.com

 29 28  0  0  0  0  0  0  0  0999 V2000
    7.5478    1.1696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7167    2.1129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0129    1.1696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8154    1.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1817    2.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4491    2.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9141    2.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2804    1.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0828    1.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6467    2.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0636    0.2737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5671    0.2737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9335    3.0087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4297    3.0087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2008    3.0087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6973    3.0087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659    3.0087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1624    3.0087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5478    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5287    0.2737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0322    0.2737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3310    0.2737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8347    0.2737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3985    3.0087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8948    3.0087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7295    1.5280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7167    3.2825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0129    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 10  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014530-3D
FYIcenter.com

 29 28  0     0  0  0  0  0  0999 V2000
   -0.6319   -0.3844   -0.0183 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5892    0.3086    0.0235 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5584   -0.3239    0.0223 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8180   -0.4840   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5847    0.4191   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1069    0.3444   -0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8149    0.4644   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1075   -0.3547    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3794   -0.5050    0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3656    0.5156    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8089   -1.1265   -0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8013   -1.1439    0.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6096    1.0740   -0.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6105    1.0545    0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1218    0.9958   -0.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0997    1.0036    0.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8024    1.1026    0.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8160    1.1228   -0.8795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -0.9841   -0.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1166   -1.0073    0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1207   -1.0126   -0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3813   -1.1500    0.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4032   -1.1620   -0.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3832    1.1527   -0.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3713    1.1688    0.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5755    0.9290    0.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5958    0.9179   -0.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5763   -0.9160   -0.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3875    0.2664   -0.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1 19  1  0  0  0  0
  2  9  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3 10  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
M  END
$$$$