A1A3U
Summary
| Name: | N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanamine |
| Formula: | C10 H14 N2 |
| Formal charge: | 0 |
| Formula weight: | 162.232 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanamine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(1~{S})-1-pyridin-3-ylethyl]cyclopropanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(NC1CC1)c1cccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H14N2/c1-8(12-10-4-5-10)9-3-2-6-11-7-9/h2-3,6-8,10,12H,4-5H2,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | XJCXOPUZWYXCES-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC1CC1)c2cccnc2 |
| SMILES | CACTVS | 3.385 | C[CH](NC1CC1)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H](c1cccnc1)NC2CC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(c1cccnc1)NC2CC2 |
