Q6P
Summary
| Name: | 7-[(3-aminopropyl)amino]-1-methoxyheptane-2,2-diol |
| Formula: | C11 H26 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 234.336 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-[(3-aminopropyl)amino]-1-methoxyheptane-2,2-diol |
| OpenEye OEToolkits | 2.0.7 | 7-(3-azanylpropylamino)-1-methoxy-heptane-2,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CNCCCN)CCCC(COC)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H26N2O3/c1-16-10-11(14,15)6-3-2-4-8-13-9-5-7-12/h13-15H,2-10,12H2,1H3 |
| InChIKey | InChI | 1.03 | ATZSVPANUKMESL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCC(O)(O)CCCCCNCCCN |
| SMILES | CACTVS | 3.385 | COCC(O)(O)CCCCCNCCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCC(CCCCCNCCCN)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCC(CCCCCNCCCN)(O)O |
