AKS
Summary
| Name: | N-(hex-5-yn-1-yl)hexanamide |
| Formula: | C12 H21 N O |
| Formal charge: | 0 |
| Formula weight: | 195.301 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(hex-5-yn-1-yl)hexanamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-hex-5-ynylhexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCCC(=O)NCCCCC#C)C |
| InChI | InChI | 1.03 | InChI=1S/C12H21NO/c1-3-5-7-9-11-13-12(14)10-8-6-4-2/h1H,4-11H2,2H3,(H,13,14) |
| InChIKey | InChI | 1.03 | CJZDJNGNVAVPMZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC(=O)NCCCCC#C |
| SMILES | CACTVS | 3.385 | CCCCCC(=O)NCCCCC#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCC(=O)NCCCCC#C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCC(=O)NCCCCC#C |
