W9O
Summary
| Name: | N-methyl-1-{(1S,2R)-2-[(1,2,4-triazolidin-1-yl)methyl]cyclohexyl}methanamine |
| Formula: | C11 H24 N4 |
| Formal charge: | 0 |
| Formula weight: | 212.335 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-1-{(1S,2R)-2-[(1,2,4-triazolidin-1-yl)methyl]cyclohexyl}methanamine |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-1-[(1~{S},2~{R})-2-(1,2,4-triazolidin-1-ylmethyl)cyclohexyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNCC1CCCCC1CN1CNCN1 |
| InChI | InChI | 1.06 | InChI=1S/C11H24N4/c1-12-6-10-4-2-3-5-11(10)7-15-9-13-8-14-15/h10-14H,2-9H2,1H3/t10-,11+/m1/s1 |
| InChIKey | InChI | 1.06 | RTSPEIWHIPINSG-MNOVXSKESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC[C@H]1CCCC[C@H]1CN2CNCN2 |
| SMILES | CACTVS | 3.385 | CNC[CH]1CCCC[CH]1CN2CNCN2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC[C@H]1CCCC[C@H]1CN2CNCN2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCC1CCCCC1CN2CNCN2 |
