C164H322N20 — CID 167578682
1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;3-ethyl-1-[(3-ethylcyclobutyl)methyl]azetidine;4-ethyl-1-[(1-methylazetidin-3-yl)methyl]piperidine;4-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine;4-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine (PubChem CID 167578682) has the molecular formula C164H322N20 and a molecular weight of 2574.52 g/mol. Its IUPAC name is 1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;3-ethyl-1-[(3-ethylcyclobutyl)methyl]azetidine;4-ethyl-1-[(1-methylazetidin-3-yl)methyl]piperidine;4-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine;4-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine.
| Compound Name | 1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;3-ethyl-1-[(3-ethylcyclobutyl)methyl]azetidine;4-ethyl-1-[(1-methylazetidin-3-yl)methyl]piperidine;4-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine;4-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine |
|---|---|
| PubChem CID | 167578682 |
| Molecular Formula | C164H322N20 |
| Molecular Weight | 2574.52 g/mol |
| Exact Mass | 2572.58 |
| IUPAC Name | 1-[(3-ethylcyclobutyl)methyl]-3-methylazetidine;1-[(3-ethylcyclobutyl)methyl]-4-methylpiperidine;(3S)-1-[(3-ethylcyclobutyl)methyl]-3-methylpyrrolidine;1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine;(3S)-1-[(4-ethylcyclohexyl)methyl]-3-methylpyrrolidine;3-ethyl-1-[(3-ethylcyclobutyl)methyl]azetidine;4-ethyl-1-[(1-methylazetidin-3-yl)methyl]piperidine;4-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine;4-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperidine;N-methyl-4-[(3-methylazetidin-1-yl)methyl]cyclohexan-1-amine;N-methyl-3-[(3-methylazetidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[(4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine;N-methyl-3-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentan-1-amine |
| SMILES | CCC1CC(CN2CC(C)C2)C1.CCC1CC(CN2CC(CC)C2)C1.CCC1CC(CN2CCC(C)CC2)C1.CCC1CC(CN2CC[C@H](C)C2)C1.CCC1CCC(CN2CCC(C)CC2)CC1.CCC1CCC(CN2CC[C@H](C)C2)CC1.CCC1CCN(CC2CCN(C)C2)CC1.CCC1CCN(CC2CCN(C)CC2)CC1.CCC1CCN(CC2CN(C)C2)CC1.CNC1CCC(CN2CC(C)C2)C1.CNC1CCC(CN2CC(C)C2)CC1.CNC1CCC(CN2CCC(C)CC2)C1.CNC1CCC(CN2CC[C@H](C)C2)C1 |
| InChI | InChI=1S/C15H29N.C14H28N2.C14H27N.2C13H26N2.C13H25N.3C12H24N2.2C12H23N.C11H22N2.C11H21N/c1-3-14-4-6-15(7-5-14)12-16-10-8-13(2)9-11-16;1-3-13-6-10-16(11-7-13)12-14-4-8-15(2)9-5-14;1-3-13-4-6-14(7-5-13)11-15-9-8-12(2)10-15;1-11-5-7-15(8-6-11)10-12-3-4-13(9-12)14-2;1-3-12-5-8-15(9-6-12)11-13-4-7-14(2)10-13;1-3-12-8-13(9-12)10-14-6-4-11(2)5-7-14;1-10-7-14(8-10)9-11-3-5-12(13-2)6-4-11;1-10-5-6-14(8-10)9-11-3-4-12(7-11)13-2;1-3-11-4-6-14(7-5-11)10-12-8-13(2)9-12;1-3-11-6-12(7-11)9-13-5-4-10(2)8-13;1-3-10-5-12(6-10)9-13-7-11(4-2)8-13;1-9-6-13(7-9)8-10-3-4-11(5-10)12-2;1-3-10-4-11(5-10)8-12-6-9(2)7-12/h13-15H,3-12H2,1-2H3;13-14H,3-12H2,1-2H3;12-14H,3-11H2,1-2H3;11-14H,3-10H2,1-2H3;12-13H,3-11H2,1-2H3;11-13H,3-10H2,1-2H3;2*10-13H,3-9H2,1-2H3;11-12H,3-10H2,1-2H3;2*10-12H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3/t;;12-,13?,14?;;;;;10-,11?,12?;;10-,11?,12?;;;/m..0....0.0.../s1 |
| InChIKey | GWIWKXNZAMGAAE-HAORRQDQSA-N |
| XLogP | 31.58 |
| TPSA | 99.96 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 184 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2574.52 |
| LogP ≤ 5 | 31.58 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 20 |