Molecule FYI-1003166

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A

Molecule Summary:

ID: FYI-1003166
Names:
InChIKey: UBCHPRBFMUDMNC-UHFFFAOYSA-N
SMILES: CC(N)C23CC1CC(CC(C1)C2)C3

Received at FYIcenter.com on: 2023-05-18

Molecule ID: FYI-1003166 Edit

Molecule Structure InChIKey: UBCHPRBFMUDMNC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(N)C23CC1CC(CC(C1)C2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003166
FYIcenter.com

 13 15  0  0  0  0  0  0  0  0999 V2000
    4.5559    2.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5838    2.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5838    3.7654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118    2.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4893    2.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9324    1.1266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0402    2.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7410    3.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118    0.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4543    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1730    1.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8634    3.3778    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  2  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 13  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003166-3D
FYIcenter.com

 34 36  0     1  0  0  0  0  0999 V2000
    2.8212   -1.2293    0.1815 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7449   -0.0106   -0.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1073    0.0392    1.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4046    1.2517   -0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4191   -1.2678   -0.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4158    0.0255    1.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1193    1.2347   -0.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1049   -1.2777   -0.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7052    1.2813    0.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7195   -1.2255    0.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0153   -0.0192   -1.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2609   -0.0241   -0.4237 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9041    1.2217    0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276    0.0647    2.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8354    2.1372   -1.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8600   -2.1693   -1.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8213    0.9199    1.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8378   -0.8408    1.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3440    1.2427   -1.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5140    2.1671   -0.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4961   -2.1953   -0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3271   -1.3341   -1.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7893    1.3128    1.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2892    2.1921    1.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3131   -2.1194    1.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8038   -1.2376    1.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1048   -0.0100   -1.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8211   -0.0448   -2.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4889   -0.0428   -1.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5610    2.1483   -0.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7885    1.3029    1.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9868    1.1913   -0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8394   -1.1766    0.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5862   -2.0458   -0.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  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  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  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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2023-06-12, 2590👍, 0💬