A1C8P
Summary
| Name: | N-{[4-(2-aminoethyl)phenyl]methyl}hexan-1-amine |
| Formula: | C15 H26 N2 |
| Formal charge: | 0 |
| Formula weight: | 234.38 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-{[4-(2-aminoethyl)phenyl]methyl}hexan-1-amine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[[4-(2-azanylethyl)phenyl]methyl]hexan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NCCc1ccc(CNCCCCCC)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H26N2/c1-2-3-4-5-12-17-13-15-8-6-14(7-9-15)10-11-16/h6-9,17H,2-5,10-13,16H2,1H3 |
| InChIKey | InChI | 1.06 | IWCJBKQGFWKUGT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCNCc1ccc(CCN)cc1 |
| SMILES | CACTVS | 3.385 | CCCCCCNCc1ccc(CCN)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCCCCNCc1ccc(cc1)CCN |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCCCCNCc1ccc(cc1)CCN |
