Basic information
- CAS
52582-86-2- Standard SMILES
CC(CCC12CC3CC(CC(C3)C1)C2)N(C)C.Cl- InChIKey
QUCYHTNWCIUCRQ-UHFFFAOYSA-N- Molecular formula
- C16H30ClN
- Average molar mass
- 271.9 g/mol
- Monoisotopic mass
- 271.2066777
Names & identifiers
- Preferred name
- 4-(Adamantan-1-yl)-N,N-dimethylbutan-2-amine--hydrogen chloride (1/1)
- IUPAC
- 4-(1-adamantyl)-N,N-dimethylbutan-2-amine;hydrochloride
Names & synonyms
52582-86-2DTXSID409670074-(Adamantan-1-yl)-N,N-dimethylbutan-2-amine--hydrogen chloride (1/1)RefChem:1070020DTXCID501394617ADAMANTANE, 1-(3-DIMETHYLAMINOBUTYL)-, HYDROCHLORIDE2-Butylamine, 4-(1-adamantyl)-N,N-dimethyl-, hydrochloride
Database identifiers
- CAS
52582-86-2- PubChem CID
- 40434
- DTXSID
DTXSID40967007
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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