Hexahydro-alpha-methyl-1H-azepine-1-ethanol
PubChem CID: 99002
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| Compound Synonyms | 77883-50-2, 1-(azepan-1-yl)propan-2-ol, Hexahydro-alpha-methyl-1H-azepine-1-ethanol, EINECS 278-781-4, NSC 163331, 1-Azepan-1-Yl-Propan-2-Ol, NSC163331, SCHEMBL23163258, DTXSID601279395, AKOS010107417, NSC-163331, 1-(HEXAMETHYLENEIMINO)-2-PROPANOL, Hexahydro-I+/--methyl-1H-azepine-1-ethanol, NS00058132, 278-781-4 |
|---|---|
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 97.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(azepan-1-yl)propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C9H19NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | RHULHUMGLDCWCP-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.108 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.823 |
| Compound Name | Hexahydro-alpha-methyl-1H-azepine-1-ethanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 157.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 157.147 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 157.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4452933999999997 |
| Inchi | InChI=1S/C9H19NO/c1-9(11)8-10-6-4-2-3-5-7-10/h9,11H,2-8H2,1H3 |
| Smiles | CC(CN1CCCCCC1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients