A1A37
Summary
| Name: | 6-methyl-N-{[(3S)-pyrrolidin-3-yl]methyl}pyridin-2-amine |
| Formula: | C11 H17 N3 |
| Formal charge: | 0 |
| Formula weight: | 191.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 6-methyl-N-{[(3S)-pyrrolidin-3-yl]methyl}pyridin-2-amine |
| OpenEye OEToolkits | 3.1.0.0 | 6-methyl-~{N}-[[(3~{S})-pyrrolidin-3-yl]methyl]pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1nc(NCC2CCNC2)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H17N3/c1-9-3-2-4-11(14-9)13-8-10-5-6-12-7-10/h2-4,10,12H,5-8H2,1H3,(H,13,14)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | GOGVDMSQODUATE-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(NC[C@H]2CCNC2)n1 |
| SMILES | CACTVS | 3.385 | Cc1cccc(NC[CH]2CCNC2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(n1)NC[C@H]2CCNC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cccc(n1)NCC2CCNC2 |
