C144H195F9N22 — CID 163798214
N-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine (PubChem CID 163798214) has the molecular formula C144H195F9N22 and a molecular weight of 2405.28 g/mol. Its IUPAC name is N-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine.
| Compound Name | N-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine |
|---|---|
| PubChem CID | 163798214 |
| Molecular Formula | C144H195F9N22 |
| Molecular Weight | 2405.28 g/mol |
| Exact Mass | 2403.58 |
| IUPAC Name | N-ethyl-N-[2-(5-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-isocyano-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propan-1-amine;N-ethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(propyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[4-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine;N-ethyl-N-[2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine |
| SMILES | CCCN(CC)CCc1c(C#N)[nH]c2ccccc12.CCCN(CC)CCc1c(C(F)(F)F)[nH]c2ccccc12.CCCN(CC)CCc1c[nH]c2c(C#N)cccc12.CCCN(CC)CCc1c[nH]c2c(C(F)(F)F)cccc12.CCCN(CC)CCc1c[nH]c2cc(C)ccc12.CCCN(CC)CCc1c[nH]c2ccc(C)cc12.CCCN(CC)CCc1c[nH]c2cccc(C(F)(F)F)c12.[C-]#[N+]c1ccc2[nH]cc(CCN(CC)CCC)c2c1.[C-]#[N+]c1ccc2c(CCN(CC)CCC)c[nH]c2c1 |
| InChI | InChI=1S/3C16H21F3N2.4C16H21N3.2C16H24N2/c1-3-9-21(4-2)10-8-12-11-20-14-7-5-6-13(15(12)14)16(17,18)19;1-3-9-21(4-2)10-8-12-11-20-15-13(12)6-5-7-14(15)16(17,18)19;1-3-10-21(4-2)11-9-13-12-7-5-6-8-14(12)20-15(13)16(17,18)19;1-4-9-19(5-2)10-8-13-12-18-16-7-6-14(17-3)11-15(13)16;1-4-9-19(5-2)10-8-13-12-18-16-11-14(17-3)6-7-15(13)16;1-3-9-19(4-2)10-8-14-12-18-16-13(11-17)6-5-7-15(14)16;1-3-10-19(4-2)11-9-14-13-7-5-6-8-15(13)18-16(14)12-17;1-4-9-18(5-2)10-8-14-12-17-16-7-6-13(3)11-15(14)16;1-4-9-18(5-2)10-8-14-12-17-16-11-13(3)6-7-15(14)16/h2*5-7,11,20H,3-4,8-10H2,1-2H3;5-8,20H,3-4,9-11H2,1-2H3;2*6-7,11-12,18H,4-5,8-10H2,1-2H3;5-7,12,18H,3-4,8-10H2,1-2H3;5-8,18H,3-4,9-11H2,1-2H3;2*6-7,11-12,17H,4-5,8-10H2,1-3H3 |
| InChIKey | NCRCAQNKHYXOOK-UHFFFAOYSA-N |
| XLogP | 35.50 |
| TPSA | 227.57 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 175 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2405.28 |
| LogP ≤ 5 | 35.50 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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