8CN
Summary
| Name: | (2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one |
| Formula: | C9 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 170.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-1-[(2~{S})-2-methylpiperidin-1-yl]propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1CCCCN1C(=O)C(C)N |
| InChI | InChI | 1.03 | InChI=1S/C9H18N2O/c1-7-5-3-4-6-11(7)9(12)8(2)10/h7-8H,3-6,10H2,1-2H3/t7-,8+/m0/s1 |
| InChIKey | InChI | 1.03 | FZZIMRQDJKXDFD-JGVFFNPUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N)C(=O)N1CCCC[C@@H]1C |
| SMILES | CACTVS | 3.385 | C[CH](N)C(=O)N1CCCC[CH]1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCCCN1C(=O)[C@@H](C)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCCN1C(=O)C(C)N |
