Basic information
- CAS
27866-07-5- Standard SMILES
CC(C)NCC(O)COCC12CC3CC(CC(C3)C1)C2- InChIKey
HHDMTWMQSWWWQI-UHFFFAOYSA-N- Molecular formula
- C17H31NO2
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.23547923
Names & identifiers
- Preferred name
- 2-Propanol, 1-(1-adamantylmethoxy)-3-isopropylamino-
- IUPAC
- 1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol
- English name
- 1-[(1-Methylethyl)amino]-3-(tricyclo[3.3.1.13,7]decan-1-ylmethoxy)-2-propanol
- Molecular formula
- C17H31NO2
- Molecular weight
- 281.43
Names & synonyms
BRN 210091627866-07-51-(1-Adamantylmethoxy)-3-isopropylamino-2-propanol2-Propanol, 1-(1-adamantylmethoxy)-3-isopropylamino-2-Propanol,1-((1-methylethyl)amino)-3-(tricyclo(3.3.1.13,7)dec-1-ylmethoxy)-RefChem:2656901-[(1-Methylethyl)amino]-3-(tricyclo[3.3.1.13,7]decan-1-ylmethoxy)-2-propanolDTXSID90950540AKOS002323927ST507575463-(adamantanylmethoxy)-1-[(methylethyl)amino]propan-2-ol1-[(Adamantan-1-yl)methoxy]-3-[(propan-2-yl)amino]propan-2-ol
Show more names
2-Propanol, 1-[(1-methylethyl)amino]-3-(tricyclo[3.3.1.13,7]dec-1-ylmethoxy)-
Database identifiers
- CAS
27866-07-5- PubChem CID
- 64256
- DTXSID
DTXSID90950540- Nikkaji
- J50.942F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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