Basic information
- CAS
3717-41-7- Standard SMILES
C[N+](C)([O-])C12CC3CC(CC(C3)C1)C2- InChIKey
IYWIVICINGQCIS-UHFFFAOYSA-N- Molecular formula
- C12H21NO
- Average molar mass
- 195.3 g/mol
- Monoisotopic mass
- 195.16231429
Names & identifiers
- Preferred name
- 1-Adamantyl(hydroxy)dimethyl-lambda(5)-azane
- IUPAC
- N,N-dimethyladamantan-1-amine oxide
Names & synonyms
3717-41-71-Adamantyl(hydroxy)dimethyl-lambda(5)-azaneNSC691278NSC 691278n,n-dimethyladamantan-1-amine oxideN,N-Dimethyladamantan-1-amine N-oxideCHEMBL1979058DTXSID40190651NSC-691278NCI60_032799N,N-Dimethyl-1-aminoadamantane N-oxide hydrate1-Adamantyl(hydroxy)dimethyl-.lambda.~5~-azane
Database identifiers
- CAS
3717-41-7- PubChem CID
- 391735
- DTXSID
DTXSID40190651- ChEMBL
CHEMBL1979058- Nikkaji
- J529.037F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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