Molecule FYI-1014554

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A

Molecule Summary:

ID: FYI-1014554
Names:
InChIKey: XITCDKMLHAIKDH-UHFFFAOYSA-N
SMILES: C=C(CC)N(CC(C)(C)C)C1CCC(C)(C)C1

Received at FYIcenter.com on: 2025-04-27

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
    2.1967    2.2169    1.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500    0.9916    2.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904   -1.1422    3.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3811   -1.2934    1.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3626   -0.9378    3.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1949    1.3583    4.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5430    1.1995    4.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3242    2.6066    3.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3482    0.7358    0.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3121    2.3275    1.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4026    1.0722    1.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5169    1.4742    1.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9444    0.7484   -0.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5585    0.1848   -1.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6883   -1.3307   -0.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2321   -1.9983   -0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042   -3.5355    1.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9761   -2.9657    2.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1864   -2.0523    1.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.7419   -0.1057    2.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 1243👍, 0💬