Basic information
- CAS
73972-47-1- Standard SMILES
OC(CCOCC12CC3CC(CC(C3)C1)C2)CN1CCCCCC1- InChIKey
ODFUUKDOWIAKCG-UHFFFAOYSA-N- Molecular formula
- C21H37NO2
- Average molar mass
- 335.5 g/mol
- Monoisotopic mass
- 335.28242942
Names & identifiers
- Preferred name
- 2-Propanol, 1-(3-adamantylmethoxymethyl)-3-(hexahydro-1H-azepinyl)-
- IUPAC
- 4-(1-adamantylmethoxy)-1-(azepan-1-yl)butan-2-ol
Names & synonyms
73972-47-11-(3-Adamantylmethoxymethyl)-3-(hexahydro-1H-azepinyl)-2-propanol2-Propanol, 1-(3-adamantylmethoxymethyl)-3-(hexahydro-1H-azepinyl)-1H-Azepine-1-ethanol, hexahydro-alpha-(2-(tricyclo(3.3.1.13,7)dec-1-ylmethoxy)ethyl)-RefChem:265735DTXSID009952004-[(Adamantan-1-yl)methoxy]-1-(azepan-1-yl)butan-2-ol
Database identifiers
- CAS
73972-47-1- PubChem CID
- 64494
- DTXSID
DTXSID00995200
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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