II6
Summary
| Name: | [(1R,3S,5R)-3-(aminomethyl)-5-methyl-cyclohexyl]methanol |
| Formula: | C9 H19 N O |
| Formal charge: | 0 |
| Formula weight: | 157.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | [(1R,3S,5R)-3-(aminomethyl)-5-methyl-cyclohexyl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H19NO/c1-7-2-8(5-10)4-9(3-7)6-11/h7-9,11H,2-6,10H2,1H3/t7-,8+,9-/m1/s1 |
| InChIKey | InChI | 1.03 | OCRWQOBBCGSFAT-HRDYMLBCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1C[C@H](CN)C[C@H](CO)C1 |
| SMILES | CACTVS | 3.385 | C[CH]1C[CH](CN)C[CH](CO)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1C[C@@H](C[C@@H](C1)CO)CN |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1CC(CC(C1)CO)CN |
