A1CZU
Summary
| Name: | N-(6-aminohexyl)-6-oxohexanamide |
| Formula: | C12 H24 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 244.331 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 6-[(6-aminohexyl)amino]-6-oxohexanoic acid |
| OpenEye OEToolkits | 3.1.0.0 | 6-(6-azanylhexylamino)-6-oxidanylidene-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(CCCCC(=O)O)NCCCCCCN |
| InChI | InChI | 1.06 | InChI=1S/C12H24N2O3/c13-9-5-1-2-6-10-14-11(15)7-3-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17) |
| InChIKey | InChI | 1.06 | JEZCDUHGYZKMCY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCCCCNC(=O)CCCCC(O)=O |
| SMILES | CACTVS | 3.385 | NCCCCCCNC(=O)CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(CCCNC(=O)CCCCC(=O)O)CCN |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(CCCNC(=O)CCCCC(=O)O)CCN |
