Basic information
- CAS
27866-17-7- Standard SMILES
CCCCCCCCNCC(O)COCC12CC3CC(CC(C3)C1)C2- InChIKey
JIRWJUZXPJJMAO-UHFFFAOYSA-N- Molecular formula
- C22H41NO2
- Average molar mass
- 351.6 g/mol
- Monoisotopic mass
- 351.31372955
Names & identifiers
- Preferred name
- 2-Propanol, 1-(1-adamantylmethoxy)-3-octylamino-
- IUPAC
- 1-(1-adamantylmethoxy)-3-(octylamino)propan-2-ol
- English name
- 1-(Tricyclo[3.3.1.13,7]decan-1-ylmethoxy)-3-(octylamino)-2-propanol
- Molecular formula
- C22H41NO2
- Molecular weight
- 351.57
Names & synonyms
BRN 21207711-(1-Adamantylmethoxy)-3-octylamino-2-propanol2-Propanol, 1-(1-adamantylmethoxy)-3-octylamino-27866-17-7RefChem:265691DTXSID509505461-[(Adamantan-1-yl)methoxy]-3-(octylamino)propan-2-ol2-Propanol, 1-(octylamino)-3-(tricyclo[3.3.1.13,7]dec-1-ylmethoxy)-1-(Tricyclo[3.3.1.13,7]decan-1-ylmethoxy)-3-(octylamino)-2-propanol
Database identifiers
- CAS
27866-17-7- PubChem CID
- 64266
- DTXSID
DTXSID50950546- Nikkaji
- J50.943D
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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