A1BFL
Summary
| Name: | N-{[(2R)-oxolan-2-yl]methyl}pyridin-4-amine |
| Formula: | C10 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 178.231 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-{[(2R)-oxolan-2-yl]methyl}pyridin-4-amine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[[(2~{R})-oxolan-2-yl]methyl]pyridin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | c1cnccc1NCC1CCCO1 |
| InChI | InChI | 1.06 | InChI=1S/C10H14N2O/c1-2-10(13-7-1)8-12-9-3-5-11-6-4-9/h3-6,10H,1-2,7-8H2,(H,11,12) |
| InChIKey | InChI | 1.06 | CRFFHQRTZREWOJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CO[C@H](C1)CNc2ccncc2 |
| SMILES | CACTVS | 3.385 | C1CO[CH](C1)CNc2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cnccc1NC[C@H]2CCCO2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cnccc1NCC2CCCO2 |
