XS6
Summary
| Name: | 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide |
| Formula: | C9 H21 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 203.282 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide |
| OpenEye OEToolkits | 1.9.2 | 6-(3-azanylpropylamino)-N-oxidanyl-hexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCNCCCCCC(NO)=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H21N3O2/c10-6-4-8-11-7-3-1-2-5-9(13)12-14/h11,14H,1-8,10H2,(H,12,13) |
| InChIKey | InChI | 1.03 | BREASWSBOVLQOH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCNCCCCCC(=O)NO |
| SMILES | CACTVS | 3.385 | NCCCNCCCCCC(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(CCC(=O)NO)CCNCCCN |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CCC(=O)NO)CCNCCCN |
