GE2
Summary
| Name: | 3,5-DIAMINO-CYCLOHEXANOL |
| Formula: | C6 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 130.188 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1s,3R,5S)-3,5-diaminocyclohexanol |
| OpenEye OEToolkits | 1.5.0 | (3R,5S)-3,5-diaminocyclohexan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1CC(N)CC(N)C1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H]1C[C@H](N)C[C@H](O)C1 |
| SMILES | CACTVS | 3.341 | N[CH]1C[CH](N)C[CH](O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H](CC(C[C@H]1N)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(CC(CC1N)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H14N2O/c7-4-1-5(8)3-6(9)2-4/h4-6,9H,1-3,7-8H2/t4-,5+,6- |
| InChIKey | InChI | 1.03 | ORKQZIAHTZABIG-FPFOFBBKSA-N |
