1-(adamantan-1-yl)-2-methylpropan-2-amine

• ChemBase ID: 310424
• Molecular Formular: C14H25N
• Molecular Mass: 207.355
• Monoisotopic Mass: 207.19869981
• SMILES: C12(CC3CC(C2)CC(C1)C3)CC(N)(C)C
• Canonical SMILES: CC(CC12CC3CC(C2)CC(C1)C3)(N)C
• InChI: InChI=1S/C14H25N/c1-13(2,15)9-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,3-9,15H2,1-2H3
• InChIKey: OWKXRDQRMTVCEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(adamantan-1-yl)-2-methylpropan-2-amine
• IUPAC Traditional name: 1-(adamantan-1-yl)-2-methylpropan-2-amine
• Synonyms: 1-(1-adamantyl)-2-methylpropan-2-amine

Database IDs

• CAS Number: 79594-24-4
• MDL Number: MFCD03106117

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.24357198
• LogD (pH = 7.4): -0.041176118
• Log P: 2.7862437
• Molar Refractivity: 63.9153 cm^3
• Polarizability: 25.890165 Å^3
• Polar Surface Area: 26.02 Å^2