UMW
Summary
| Name: | 1-[(3~{S})-3-azanylpyrrolidin-1-yl]-2-methyl-propan-2-ol |
| Formula: | C8 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 158.241 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(3~{S})-3-azanylpyrrolidin-1-yl]-2-methyl-propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H18N2O/c1-8(2,11)6-10-4-3-7(9)5-10/h7,11H,3-6,9H2,1-2H3/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | VDMURYIBJNVHLD-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)CN1CC[C@H](N)C1 |
| SMILES | CACTVS | 3.385 | CC(C)(O)CN1CC[CH](N)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(CN1CC[C@@H](C1)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(CN1CCC(C1)N)O |
