JFQ
Summary
| Name: | trans-N-(3-aminopropyl)cyclohexane-1,4-diamine |
| Formula: | C9 H21 N3 |
| Formal charge: | 0 |
| Formula weight: | 171.283 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | trans-N-(3-aminopropyl)cyclohexane-1,4-diamine |
| OpenEye OEToolkits | 1.7.0 | N1-(3-azanylpropyl)cyclohexane-1,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(CCCN)C1CCC(N)CC1 |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCCN[C@@H]1CC[C@@H](N)CC1 |
| SMILES | CACTVS | 3.370 | NCCCN[CH]1CC[CH](N)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1CC(CCC1N)NCCCN |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1CC(CCC1N)NCCCN |
| InChI | InChI | 1.03 | InChI=1S/C9H21N3/c10-6-1-7-12-9-4-2-8(11)3-5-9/h8-9,12H,1-7,10-11H2/t8-,9- |
| InChIKey | InChI | 1.03 | QIMPCSMJRMPRJC-KYZUINATSA-N |
