WM7
Summary
| Name: | (3S)-N-benzylpyrrolidin-3-amine |
| Formula: | C11 H16 N2 |
| Formal charge: | 0 |
| Formula weight: | 176.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-N-benzylpyrrolidin-3-amine |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-~{N}-(phenylmethyl)pyrrolidin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cccc(CNC1CCNC1)c2 |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-13-11-6-7-12-9-11/h1-5,11-13H,6-9H2/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | NFLXIAUKMQBTMN-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1C[C@@H](CN1)NCc2ccccc2 |
| SMILES | CACTVS | 3.385 | C1C[CH](CN1)NCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN[C@H]2CCNC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNC2CCNC2 |
