N-(pyridin-2-ylmethyl)adamantan-1-amine

• ChemBase ID: 310981
• Molecular Formular: C16H22N2
• Molecular Mass: 242.35928
• Monoisotopic Mass: 242.17829871
• SMILES: C12(NCc3ncccc3)CC3CC(C1)CC(C2)C3
• Canonical SMILES: c1ccc(nc1)CNC12CC3CC(C2)CC(C1)C3
• InChI: InChI=1S/C16H22N2/c1-2-4-17-15(3-1)11-18-16-8-12-5-13(9-16)7-14(6-12)10-16/h1-4,12-14,18H,5-11H2
• InChIKey: JZNCCSXXPQMODA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyridin-2-ylmethyl)adamantan-1-amine
• IUPAC Traditional name: N-(pyridin-2-ylmethyl)adamantan-1-amine
• Synonyms: 1-adamantyl(pyridin-2-ylmethyl)amine

Database IDs

• CAS Number: 355382-19-3
• MDL Number: MFCD01826556

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.60256505
• LogD (pH = 7.4): 0.77423763
• Log P: 2.4868004
• Molar Refractivity: 72.2437 cm^3
• Polarizability: 29.05008 Å^3
• Polar Surface Area: 24.92 Å^2