27W
Summary
| Name: | (3R,4S,5S)-5-amino-3,7-dimethyloctan-4-ol |
| Formula: | C10 H23 N O |
| Formal charge: | 0 |
| Formula weight: | 173.296 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R,4S,5S)-5-amino-3,7-dimethyloctan-4-ol |
| OpenEye OEToolkits | 1.7.6 | (3R,4S,5S)-5-azanyl-3,7-dimethyl-octan-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(C(CC)C)C(N)CC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H23NO/c1-5-8(4)10(12)9(11)6-7(2)3/h7-10,12H,5-6,11H2,1-4H3/t8-,9+,10+/m1/s1 |
| InChIKey | InChI | 1.03 | QINOKVMKRSAUFS-UTLUCORTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C)[C@H](O)[C@@H](N)CC(C)C |
| SMILES | CACTVS | 3.385 | CC[CH](C)[CH](O)[CH](N)CC(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[C@@H](C)[C@@H]([C@H](CC(C)C)N)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC(C)C(C(CC(C)C)N)O |
