adamantan-2-ylmethanamine

• ChemBase ID: 310367
• Molecular Formular: C11H19N
• Molecular Mass: 165.27526
• Monoisotopic Mass: 165.15174961
• SMILES: C12C(C3CC(C1)CC(C2)C3)CN
• Canonical SMILES: NCC1C2CC3CC1CC(C2)C3
• InChI: InChI=1S/C11H19N/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-6,12H2
• InChIKey: UIIZRVWVFJSCHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: adamantan-2-ylmethanamine
• IUPAC Traditional name: adamantan-2-ylmethanamine
• Synonyms: (2-adamantylmethyl)amine

Database IDs

• CAS Number: 42067-67-4
• MDL Number: MFCD02632265

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3145034
• LogD (pH = 7.4): -0.8936841
• Log P: 1.7094489
• Molar Refractivity: 50.2538 cm^3
• Polarizability: 20.35101 Å^3
• Polar Surface Area: 26.02 Å^2