Molecule FYI-1012591

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A

Molecule Summary:

ID: FYI-1012591
Names:
InChIKey: GEDIEUQTBYWADL-UHFFFAOYSA-N
SMILES: CC1CC1C.CCCC(N)NC

Received at FYIcenter.com on: 2024-09-25

Molecule ID: FYI-1012591 Edit

Molecule Structure InChIKey: GEDIEUQTBYWADL-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1CC1C.CCCC(N)NC

Download SDF Download SVG Structure in 2D SDF:

FYI-1012591
FYIcenter.com

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2707    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8458    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9080    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4831    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2707    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6956    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0583    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012591-3D
FYIcenter.com

 36 35  0  0  1  0  0  0  0  0999 V2000
    1.4036    1.3903   -1.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8818    1.1606   -1.1797 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7391    1.5376   -2.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5765    0.0850   -2.0089 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8107   -0.8576   -2.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6089   -1.4658    1.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0719   -1.2089    1.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0057   -2.3849    1.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4744   -2.0795    0.9649 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0065   -0.9570    1.7009 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3193   -3.2199    1.2664 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7107   -3.0076    0.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0800    1.9381   -0.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8480    0.4494   -1.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1188    1.9816   -2.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2765    1.3385   -0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6946    1.9960   -2.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2574    1.9009   -3.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4626   -0.3881   -1.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8852   -0.4239   -3.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5493   -1.7590   -2.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240   -1.1671   -3.7228 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420   -0.5343    1.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4712   -1.7968    2.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1874   -2.2098    0.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3864   -0.3176    1.5892 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1428   -1.0051   -0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630   -3.2606    0.7799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9317   -2.6446    2.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5169   -1.8808   -0.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8757   -1.1463    2.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4880   -0.1135    1.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9650   -4.0197    0.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2200   -2.2960    1.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7890   -2.6568   -0.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2588   -3.9519    0.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
M  END
$$$$

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2024-10-14, 1323👍, 0💬