5-(aminomethyl)adamantan-2-ol

• ChemBase ID: 307296
• Molecular Formular: C11H19NO
• Molecular Mass: 181.27466
• Monoisotopic Mass: 181.14666423
• SMILES: C12(CC3C(C(C1)CC(C3)C2)O)CN
• Canonical SMILES: NCC12CC3CC(C2)C(C(C1)C3)O
• InChI: InChI=1S/C11H19NO/c12-6-11-3-7-1-8(4-11)10(13)9(2-7)5-11/h7-10,13H,1-6,12H2
• InChIKey: FQVWYKRNBLKXQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)adamantan-2-ol
• IUPAC Traditional name: 5-(aminomethyl)adamantan-2-ol
• Synonyms: 5-(aminomethyl)adamantan-2-ol

Database IDs

• MDL Number: MFCD09035853

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4454017
• LogD (pH = 7.4): -1.8230908
• Log P: 0.56961966
• Molar Refractivity: 51.6188 cm^3
• Polarizability: 20.948929 Å^3
• Polar Surface Area: 46.25 Å^2