Basic information
- CAS
31897-89-9- Standard SMILES
CC(C)NC(C)CC12CC3CC(CC(C3)C1)C2.Cl- InChIKey
BGCODIYHPONIJP-UHFFFAOYSA-N- Molecular formula
- C16H30ClN
- Average molar mass
- 271.9 g/mol
- Monoisotopic mass
- 271.2066777
Names & identifiers
- Preferred name
- 1-(Adamantan-1-yl)-N-(propan-2-yl)propan-2-amine--hydrogen chloride (1/1)
- IUPAC
- 1-(1-adamantyl)-N-propan-2-ylpropan-2-amine;hydrochloride
Names & synonyms
31897-89-9DTXSID809538081-(Adamantan-1-yl)-N-(propan-2-yl)propan-2-amine--hydrogen chloride (1/1)RefChem:1054581DTXCID201381849ADAMANTANE, 1-(2-ISOPROPYLAMINOPROPYL)-, HYDROCHLORIDE2-Propylamine, 1-(1-adamantyl)-N-isopropyl-, hydrochloride
Database identifiers
- CAS
31897-89-9- PubChem CID
- 35985
- DTXSID
DTXSID80953808
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- 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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