3-Propyladamantan-1-amine
Basic information
- CAS
80121-61-5- Standard SMILES
CCCC12CC3CC(CC(N)(C3)C1)C2- InChIKey
COHBMLHLXRNIBJ-UHFFFAOYSA-N- Molecular formula
- C13H23N
- Average molar mass
- 193.33 g/mol
- Monoisotopic mass
- 193.18304974
Names & identifiers
- Preferred name
- 3-Propyladamantan-1-amine
- IUPAC
- 3-propyladamantan-1-amine
Names & synonyms
3-propyladamantan-1-amineOprea1_052637CHEMBL346660IFLab1_001212SCHEMBL6003288DTXSID008745011-AMINOADAMANTANE,3-PROPYLAKOS001600225AKOS021984373IDI1_009079NCGC00330539-0180121-61-5
Show more names
AB01324674-023-propyladamantan-1-amine--hydrogen chloride (1/1)Tricyclo[3.3.1.1~3,7~]decan-1-amine, 3-propyl-
Database identifiers
- CAS
80121-61-5- PubChem CID
- 3936236
- DTXSID
DTXSID00874501- ChEMBL
CHEMBL346660
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
LogP3.76
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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