Molecule FYI-1005522

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A

Molecule Summary:

ID: FYI-1005522
Names:
InChIKey: VZUMQDIWFCZSNC-UHFFFAOYSA-N
SMILES: CCN(CC)CC(N)C1CCNCC1

Received at FYIcenter.com on: 2023-11-01

Molecule ID: FYI-1005522 Edit

Molecule Structure InChIKey: VZUMQDIWFCZSNC-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(CC)CC(N)C1CCNCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005522
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  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 10  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005522-3D
FYIcenter.com

 39 39  0  0  1  0  0  0  0  0999 V2000
    0.8579    0.2238   -2.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3561    0.4416   -2.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7420    0.9303   -1.3661 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1626    0.1294   -0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6618   -1.3121   -0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2185    0.9859   -1.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0162    1.8820   -2.2284 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5213    3.2688   -2.1794 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5505    1.8335   -1.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3829    2.7116   -2.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5064    2.1062   -4.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0241    0.7351   -4.2802 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2026   -0.1284   -3.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1412    0.4061   -2.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6499    0.0533   -3.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2795    1.0972   -2.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976   -0.6546   -2.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6580    1.1869   -3.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833   -0.4874   -2.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0696    0.1232   -0.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3599    0.6478    0.6851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917   -1.8371   -1.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012   -1.8786    0.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6650   -1.3423    0.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6034   -0.0343   -1.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4493    1.3497   -0.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    1.5163   -3.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5037    3.5775   -1.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5333    3.2522   -2.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7079    2.2152   -0.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    2.8226   -2.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9746    3.7240   -2.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1948    2.7192   -4.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5441    2.1295   -4.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9751    0.7514   -3.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6398   -1.1325   -3.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1994   -0.2340   -3.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1582    0.4321   -1.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5975   -0.2954   -1.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  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 27  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 14  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  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
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
M  END
$$$$

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2023-11-09, 470👍, 0💬