Molecule FYI-1002119

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A

Molecule Summary:

ID: FYI-1002119
Names:
InChIKey: BUGYDGFZZOZRHP-UHFFFAOYSA-N
SMILES: CC13CC2CC(C)(C1)CC(N)(C2)C3

Received at FYIcenter.com on: 2023-02-01

Molecule ID: FYI-1002119 Edit

Molecule Structure InChIKey: BUGYDGFZZOZRHP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC13CC2CC(C)(C1)CC(N)(C2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002119
FYIcenter.com

 13 15  0  0  0  0  0  0  0  0999 V2000
    3.5838    3.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118    2.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4894    2.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9324    1.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4543    0.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118    0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1730    1.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7410    4.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0402    3.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8635    4.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1798    5.1843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1730    0.0000    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  1  0  0  0  0
  7  2  1  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
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002119-3D
FYIcenter.com

 34 36  0     1  0  0  0  0  0999 V2000
    0.1919    2.8305   -0.8038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3184   -0.6502   -0.2731 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2234   -0.8134   -0.2709 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0929    1.4598   -0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002    0.0345    1.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0934   -1.4541   -0.7682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2088    0.7989   -0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3011    0.6374   -0.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2978   -0.6159    1.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046   -0.7764    1.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0923    1.4717    1.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6135   -1.2997   -0.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258   -1.6230   -0.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0517    2.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1603   -2.4917   -0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0953   -1.4996   -1.8657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2327    0.7967   -1.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0800    1.3820   -0.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2395    1.1036   -0.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3266    0.6317   -1.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3813   -1.6334    1.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1624   -0.0557    1.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1330   -0.3312    1.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1567   -1.7960    1.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7527    2.0606    1.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0052    1.9473    1.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4920   -0.7419   -0.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6444   -1.3321   -1.8651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7065   -2.3276   -0.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3861   -2.6544   -0.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4543   -1.6594   -1.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3679   -1.1821   -0.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0372    3.2719   -0.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5887    3.3846   -0.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
M  END
$$$$

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2023-07-11, 2275👍, 0💬