Molecule FYI-1015946

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A

Molecule Summary:

ID: FYI-1015946
Names:
InChIKey: KUIIQQUKESZIFV-UHFFFAOYSA-N
SMILES: CCCCCCCCC(=O)NCCCCCCN

Received at FYIcenter.com on: 2025-11-05

Molecule ID: FYI-1015946 Edit

Molecule Structure InChIKey: KUIIQQUKESZIFV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCC(=O)NCCCCCCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1015946
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0905    2.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2033    1.3953    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
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  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 15  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015946-3D
FYIcenter.com

 50 49  0     0  0  0  0  0  0999 V2000
    0.3377   -2.3656    1.0826 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6344   -1.8159   -0.7663 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2868    3.5505   -0.1940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2720    0.0053    0.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9422   -0.0185   -0.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3561    0.8306   -0.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8815   -0.9031    0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2894   -0.4650   -0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6814    0.7601    0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7919   -1.6993    0.4373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6030   -0.9476   -0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3053    0.3664    0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8262   -2.5424   -0.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8277    1.5830   -0.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7763    1.5525   -0.3500 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4838   -1.7893    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8152    2.3855    0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0858    1.5129    0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1036    0.4026    1.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6284   -1.0253    0.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1237   -0.3762   -1.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5596    1.0060   -0.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0279    1.8737   -0.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5002    0.4559   -1.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2739   -1.9198    0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6596   -0.5230    1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4400    0.1777   -0.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7477   -0.7845   -1.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9945   -0.2863    0.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5414    1.1545    1.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3020   -1.3789    1.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6487   -2.3210    0.7228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2109    0.0673   -0.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -1.3648   -1.6289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8400    0.7008    1.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1518   -0.2734    0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3067   -2.8778   -1.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345   -3.4316    0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125    1.2480   -1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9824    2.2198   -0.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4626    2.5960   -0.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9369    1.1441   -1.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534   -1.2995   -1.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6710    1.7607    0.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3329    2.7219    1.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4441    0.4846    0.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9665    1.9461    1.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8547    2.0848   -0.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625    3.2484   -1.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9826    4.0451    0.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  0  0  0  0
  2 43  1  0  0  0  0
  3 17  1  0  0  0  0
  3 49  1  0  0  0  0
  3 50  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 11  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 15  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 13  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 16  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 17  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 18  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
M  END
$$$$

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2025-11-06, 337👍, 0💬