3-Adamantylaminopropylamine

HCID 5032001

Notes Reactions

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Basic information

CAS: 46370-35-8
Standard SMILES: NCCCNC12CC3CC(CC(C3)C1)C2
InChIKey: PEISMEIIGOUEOP-UHFFFAOYSA-N
Molecular formula: C13H24N2
Average molar mass: 208.34 g/mol
Monoisotopic mass: 208.19394877

Names & identifiers

Preferred name: 3-Adamantylaminopropylamine
IUPAC: N'-(1-adamantyl)propane-1,3-diamine

Names & synonyms

46370-35-8N1-Tricyclo[3.3.1.13,7]dec-1-yl-1,3-propanediamine3-adamantylaminopropylamineCBDivE_014959CHEMBL1830328SCHEMBL23934062PEISMEIIGOUEOP-UHFFFAOYSA-NDTXSID901226907AKOS004119761N~1~-(Adamantan-1-yl)propane-1,3-diamine

Database identifiers

CAS: 46370-35-8
PubChem CID: 5032001
DTXSID: DTXSID901226907
ChEMBL: CHEMBL1830328
Nikkaji: J3.621.008G

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 195

Related reactions

1 records

New reaction record

HRID 446952As reactantuspto-grants-2013_07

Compound notes

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