4JU
Summary
| Name: | trans-4-methylcyclohexanamine |
| Formula: | C7 H15 N |
| Formal charge: | 0 |
| Formula weight: | 113.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | trans-4-methylcyclohexanamine |
| OpenEye OEToolkits | 1.9.2 | 4-methylcyclohexan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC1CCC(CC1)C |
| InChI | InChI | 1.03 | InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7- |
| InChIKey | InChI | 1.03 | KSMVBYPXNKCPAJ-LJGSYFOKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC[C@@H](N)CC1 |
| SMILES | CACTVS | 3.385 | C[CH]1CC[CH](N)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC1CCC(CC1)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1CCC(CC1)N |
