N-ethyladamantan-2-amine

• ChemBase ID: 311391
• Molecular Formular: C12H21N
• Molecular Mass: 179.30184
• Monoisotopic Mass: 179.16739968
• SMILES: C12C(C3CC(C2)CC(C3)C1)NCC
• Canonical SMILES: CCNC1C2CC3CC1CC(C2)C3
• InChI: InChI=1S/C12H21N/c1-2-13-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-13H,2-7H2,1H3
• InChIKey: LBUOWFRNFOQBRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyladamantan-2-amine
• IUPAC Traditional name: N-ethyladamantan-2-amine
• Synonyms: N-ethyl-2-adamantanamine hydrochloride

Database IDs

• CAS Number: 46176-57-2
• MDL Number: MFCD09971526

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9000497
• LogD (pH = 7.4): -0.75288016
• Log P: 2.3397322
• Molar Refractivity: 54.8922 cm^3
• Polarizability: 22.19729 Å^3
• Polar Surface Area: 12.03 Å^2