C168H246N18O7 — CID 165039470
N-benzylpropan-2-amine;1-phenyl-N-propan-2-ylcyclopropan-1-amine;2-phenyl-N-propan-2-ylpropan-2-amine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;(1-propan-2-yloxycyclopropyl)benzene;2-(1-propan-2-yloxycyclopropyl)pyridine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;2-propan-2-yloxypropan-2-ylbenzene;2-(2-propan-2-yloxypropan-2-yl)pyridine;2-propan-2-ylpyrazine;N-propan-2-yl-1-pyridin-2-ylcyclopropan-1-amine;N-propan-2-yl-2-pyridin-2-ylpropan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine (PubChem CID 165039470) has the molecular formula C168H246N18O7 and a molecular weight of 2629.93 g/mol. Its IUPAC name is N-benzylpropan-2-amine;1-phenyl-N-propan-2-ylcyclopropan-1-amine;2-phenyl-N-propan-2-ylpropan-2-amine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;(1-propan-2-yloxycyclopropyl)benzene;2-(1-propan-2-yloxycyclopropyl)pyridine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;2-propan-2-yloxypropan-2-ylbenzene;2-(2-propan-2-yloxypropan-2-yl)pyridine;2-propan-2-ylpyrazine;N-propan-2-yl-1-pyridin-2-ylcyclopropan-1-amine;N-propan-2-yl-2-pyridin-2-ylpropan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine.
| Compound Name | N-benzylpropan-2-amine;1-phenyl-N-propan-2-ylcyclopropan-1-amine;2-phenyl-N-propan-2-ylpropan-2-amine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;(1-propan-2-yloxycyclopropyl)benzene;2-(1-propan-2-yloxycyclopropyl)pyridine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;2-propan-2-yloxypropan-2-ylbenzene;2-(2-propan-2-yloxypropan-2-yl)pyridine;2-propan-2-ylpyrazine;N-propan-2-yl-1-pyridin-2-ylcyclopropan-1-amine;N-propan-2-yl-2-pyridin-2-ylpropan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine |
|---|---|
| PubChem CID | 165039470 |
| Molecular Formula | C168H246N18O7 |
| Molecular Weight | 2629.93 g/mol |
| Exact Mass | 2627.94 |
| IUPAC Name | N-benzylpropan-2-amine;1-phenyl-N-propan-2-ylcyclopropan-1-amine;2-phenyl-N-propan-2-ylpropan-2-amine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;(1-propan-2-yloxycyclopropyl)benzene;2-(1-propan-2-yloxycyclopropyl)pyridine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;2-propan-2-yloxypropan-2-ylbenzene;2-(2-propan-2-yloxypropan-2-yl)pyridine;2-propan-2-ylpyrazine;N-propan-2-yl-1-pyridin-2-ylcyclopropan-1-amine;N-propan-2-yl-2-pyridin-2-ylpropan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine |
| SMILES | CC(C)N1CCc2ccccc2C1.CC(C)N1Cc2ccccc2C1.CC(C)NC(C)(C)c1ccccc1.CC(C)NC(C)(C)c1ccccn1.CC(C)NC1(c2ccccc2)CC1.CC(C)NC1(c2ccccn2)CC1.CC(C)NCc1ccccc1.CC(C)NCc1ccccn1.CC(C)OC(C)(C)c1ccccc1.CC(C)OC(C)(C)c1ccccn1.CC(C)OC1(c2ccccc2)CC1.CC(C)OC1(c2ccccn2)CC1.CC(C)OCc1ccccc1.CC(C)OCc1ccccn1.CC(C)OCc1cnccn1.CC(C)c1cnccn1 |
| InChI | InChI=1S/2C12H17N.C12H19N.C12H16O.C12H18O.C11H16N2.C11H18N2.C11H15NO.C11H17NO.C11H15N.C10H15N.C10H14O.C9H14N2.C9H13NO.C8H12N2O.C7H10N2/c1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-10(2)13-12(8-9-12)11-6-4-3-5-7-11;1-10(2)13-12(3,4)11-8-6-5-7-9-11;1-10(2)13-12(8-9-12)11-6-4-3-5-7-11;1-10(2)13-12(3,4)11-8-6-5-7-9-11;1-9(2)13-11(6-7-11)10-5-3-4-8-12-10;1-9(2)13-11(3,4)10-7-5-6-8-12-10;1-9(2)13-11(6-7-11)10-5-3-4-8-12-10;1-9(2)13-11(3,4)10-7-5-6-8-12-10;1-9(2)12-7-10-5-3-4-6-11(10)8-12;2*1-9(2)11-8-10-6-4-3-5-7-10;2*1-8(2)11-7-9-5-3-4-6-10-9;1-7(2)11-6-8-5-9-3-4-10-8;1-6(2)7-5-8-3-4-9-7/h3-6,10H,7-9H2,1-2H3;3-7,10,13H,8-9H2,1-2H3;5-10,13H,1-4H3;3-7,10H,8-9H2,1-2H3;5-10H,1-4H3;3-5,8-9,13H,6-7H2,1-2H3;5-9,13H,1-4H3;3-5,8-9H,6-7H2,1-2H3;5-9H,1-4H3;3-6,9H,7-8H2,1-2H3;3-7,9,11H,8H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8,11H,7H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;3-6H,1-2H3 |
| InChIKey | NWYNHCZTSBOXPV-UHFFFAOYSA-N |
| XLogP | 37.91 |
| TPSA | 272.17 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 193 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2629.93 |
| LogP ≤ 5 | 37.91 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 25 |