8BI
Summary
| Name: | (1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine |
| Formula: | C12 H21 N3 |
| Formal charge: | 0 |
| Formula weight: | 207.315 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{R})-2,4,4-trimethyl-~{N}-(1~{H}-pyrazol-3-ylmethyl)cyclopentan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1(C)CC(NCc2cc[NH]n2)C(C)C1 |
| InChI | InChI | 1.03 | InChI=1S/C12H21N3/c1-9-6-12(2,3)7-11(9)13-8-10-4-5-14-15-10/h4-5,9,11,13H,6-8H2,1-3H3,(H,14,15)/t9-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | VJSXSAJVDGYBFZ-MWLCHTKSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC(C)(C)C[C@H]1NCc2cc[nH]n2 |
| SMILES | CACTVS | 3.385 | C[CH]1CC(C)(C)C[CH]1NCc2cc[nH]n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CC(C[C@H]1NCc2cc[nH]n2)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(CC1NCc2cc[nH]n2)(C)C |
