Heptaminol
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2111076 | |
| PubChem: | 3590 | |
| IUPAC: | 6-amino-2-methylheptan-2-ol | |
| Standard InChI: | InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3 | |
| Standard InChI Key: | LREQLEBVOXIEOM-UHFFFAOYSA-N | |
| SMILES: | CC(CCCC(O)(C)C)N | |
Molecular propeties
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| AlogP: | 1.27 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 0 | |
| Molecular Weight: | 145.15 | |
| Topological polar surface area: | 46.2 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 8 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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