A1A3W
Summary
| Name: | (1R)-N-methyl-1-(pyridin-4-yl)propan-1-amine |
| Formula: | C9 H14 N2 |
| Formal charge: | 0 |
| Formula weight: | 150.221 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1R)-N-methyl-1-(pyridin-4-yl)propan-1-amine |
| OpenEye OEToolkits | 3.1.0.0 | (1~{S})-~{N}-methyl-1-pyridin-4-yl-propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CNC(CC)c1ccncc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H14N2/c1-3-9(10-2)8-4-6-11-7-5-8/h4-7,9-10H,3H2,1-2H3/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | LOFCJGPTBIGJGR-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](NC)c1ccncc1 |
| SMILES | CACTVS | 3.385 | CC[CH](NC)c1ccncc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC[C@@H](c1ccncc1)NC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(c1ccncc1)NC |
