Molecule FYI-1014149

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A

Molecule Summary:

ID: FYI-1014149
Names:
InChIKey: JOLMGYIWICXNDT-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCN(C)CCO

Received at FYIcenter.com on: 2025-03-06

Molecule ID: FYI-1014149 Edit

Molecule Structure InChIKey: JOLMGYIWICXNDT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCN(C)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1014149
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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
  9  8  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 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014149-3D
FYIcenter.com

 50 49  0     1  0  0  0  0  0999 V2000
    5.8920   -3.0168   -0.6071 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9756    0.3606    0.5550 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3760    0.6295    0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7176    0.4828   -0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7882    0.9585   -0.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948    0.2268    0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1074    1.0623    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2158    0.1603   -0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2770    1.3636   -0.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4288   -0.1166    0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6071    1.5463   -0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7385   -0.2562   -0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9014   -0.6030    0.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5294   -0.6692   -0.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9380    0.7016    1.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1992   -0.7809   -0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3574   -2.0496    0.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1594   -0.3014    0.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4612    1.4198    0.9233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6474   -0.3374   -1.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9111    1.3972   -1.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5864    1.9034   -1.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8699    0.1789   -1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9490    1.0268    1.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7329   -0.7131    0.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0295    1.8533    0.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2860    0.1205    0.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1466   -0.6268   -1.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3741    1.1049   -0.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0618    2.2921   -1.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    0.5791   -1.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2477   -1.0388    1.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5266    0.6918    1.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4820    2.4043    0.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3948    1.8287   -0.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6299   -1.0406   -1.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9522    0.6796   -0.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6800   -1.5280    1.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0303    0.1902    1.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0215   -0.6944   -1.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5842   -0.4813   -0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1921   -0.1687    2.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5073    1.4386    2.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8655    1.1192    1.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4668    0.1367   -0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1132   -1.5912   -0.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0169   -1.0264    0.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8885   -2.1474    1.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2983   -2.2777    0.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7613   -3.8884   -0.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 50  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 16  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 17  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 992👍, 0💬