A1C92
Summary
| Name: | (1r,4R)-4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine |
| Formula: | C13 H25 N O |
| Formal charge: | 0 |
| Formula weight: | 211.344 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1r,4R)-4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine |
| OpenEye OEToolkits | 3.1.0.0 | 4-ethyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]cyclohexan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CCC1CCC(CC1)NCC1CCCO1 |
| InChI | InChI | 1.06 | InChI=1S/C13H25NO/c1-2-11-5-7-12(8-6-11)14-10-13-4-3-9-15-13/h11-14H,2-10H2,1H3/t11-,12-,13-/m1/s1 |
| InChIKey | InChI | 1.06 | OQZVAWFLKXOTAU-JHJVBQTASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H]1CC[C@@H](CC1)NC[C@H]2CCCO2 |
| SMILES | CACTVS | 3.385 | CC[CH]1CC[CH](CC1)NC[CH]2CCCO2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCC1CCC(CC1)NC[C@H]2CCCO2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC1CCC(CC1)NCC2CCCO2 |
