Molecule Editor

Molecule ID: FYI-1016557 Edit

Molecule Structure InChIKey: CJYCVQJRVSAFKB-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCCCCCCCCCCCCCCCCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1016557
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4408    1.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    0.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8650    1.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608    0.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2892    1.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4850    0.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7134    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9093    0.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1377    0.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3335    0.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    0.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7577    0.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9861    0.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1819    0.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4103    0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6061    0.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8345    0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0051    0.0000    0.0000 N   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
  6  7  1  0  0  0  0
  7  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
 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  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016557-3D
FYIcenter.com

 60 59  0  0  0  0  0  0  0  0999 V2000
    0.8721    0.0653    0.0049 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3288    0.0702    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8552   -0.7749    1.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3813   -0.7821    1.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9058   -1.6232    2.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4293   -1.6283    2.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9505   -2.4675    3.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4725   -2.4747    3.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9914   -3.3167    4.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5126   -3.3230    4.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0300   -4.1664    5.8362 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5510   -4.1723    5.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0691   -5.0154    7.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5907   -5.0235    7.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1111   -5.8659    8.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6344   -5.8734    8.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1595   -6.7173    9.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6863   -6.7256    9.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2129   -7.5712   10.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6696   -7.5645   10.5044 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5308    0.6769   -0.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5308    0.4578    0.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6915    1.1006    0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6886   -0.3295   -0.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4822   -0.3813    2.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7555    0.2448    1.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7621   -1.1814    0.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5346   -2.6516    2.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5295   -1.2244    3.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -0.6013    2.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8087   -2.0301    1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5759   -3.4947    3.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -2.0646    4.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8490   -1.4483    3.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8488   -2.8759    2.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6166   -4.3436    4.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6156   -2.9167    5.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8882   -2.2964    4.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8893   -3.7224    3.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6549   -5.1931    5.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6526   -3.7675    6.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9257   -3.1454    5.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9277   -4.5711    4.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6920   -6.0419    6.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6921   -4.6156    7.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9656   -3.9965    7.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9652   -5.4237    6.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7345   -6.8922    8.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7332   -5.4656    9.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0072   -4.8458    8.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0089   -6.2710    7.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7838   -7.7439    9.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.0560   -5.6962    9.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8503   -8.5998   10.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8524   -7.1690   11.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0108   -7.9550    9.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0102   -8.1783   11.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
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 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
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M  END
$$$$