8C2
Summary
| Name: | N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine |
| Formula: | C12 H21 N3 |
| Formal charge: | 0 |
| Formula weight: | 207.315 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3,5-dimethyl-1~{H}-pyrazol-4-yl)methyl]cyclohexanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1n[NH]c(C)c1CNC1CCCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C12H21N3/c1-9-12(10(2)15-14-9)8-13-11-6-4-3-5-7-11/h11,13H,3-8H2,1-2H3,(H,14,15) |
| InChIKey | InChI | 1.03 | CUPRVIDJDATUMO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]nc(C)c1CNC2CCCCC2 |
| SMILES | CACTVS | 3.385 | Cc1[nH]nc(C)c1CNC2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(n[nH]1)C)CNC2CCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(n[nH]1)C)CNC2CCCCC2 |
