N-(adamantan-1-yl)-2-aminoacetamide

• ChemBase ID: 124744
• Molecular Formular: C12H20N2O
• Molecular Mass: 208.3
• Monoisotopic Mass: 208.15756327
• SMILES: C12(NC(=O)CN)CC3CC(C2)CC(C1)C3
• Canonical SMILES: NCC(=O)NC12CC3CC(C2)CC(C1)C3
• InChI: InChI=1S/C12H20N2O/c13-7-11(15)14-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7,13H2,(H,14,15)
• InChIKey: BAGVEXJQTGNSES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(adamantan-1-yl)-2-aminoacetamide
• IUPAC Traditional name: N-(adamantan-1-yl)-2-aminoacetamide
• Synonyms: N-((1s,3s)-adamantan-1-yl)-2-aminoacetamide

Database IDs

• PubChem SID: 162219097
• PubChem CID: 3010152

CALCULATED PROPERTIES

• Acid pKa: 15.632873
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1319623
• LogD (pH = 7.4): -0.44872338
• Log P: 0.3606643
• Molar Refractivity: 58.3391 cm^3
• Polarizability: 23.379332 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true