Molecule Editor

Molecule ID: FYI-1014554 Edit

Molecule Structure InChIKey: XITCDKMLHAIKDH-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(CC)N(CC(C)(C)C)C1CCC(C)(C)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014554
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    6.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    2.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4837    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6163    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    2.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  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 14  1  0  0  0  0
 17 14  1  0  0  0  0
 17 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014554-3D
FYIcenter.com

 48 48  0  0  1  0  0  0  0  0999 V2000
    1.5343   -0.8296   -0.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1302    0.3039   -0.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1007    1.4594   -1.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1184    2.8859   -0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7626    0.3783    0.7798 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1240    1.1428    1.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6752    0.7723    2.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5182   -0.7316    2.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3987    1.5250    3.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3959    1.2520    1.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663    0.4436    0.8994 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0744    0.0748   -0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5922   -1.3509   -0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1424   -1.8400    1.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2673   -2.6403    1.8931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103   -2.7567    1.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8162   -0.5314    1.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0573   -0.9155   -1.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4865   -1.7112   -0.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1837    1.3651   -2.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257    1.3410   -2.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4058    3.0482   -0.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8334    3.5666   -1.7634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1193    3.1744   -0.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9958   -3.4827    0.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -2.2007    1.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7868   -3.3175    2.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1390   -0.7037    2.8067 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 13 14  1  0  0  0  0
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M  END
$$$$