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

• ChemBase ID: 255595
• Molecular Formular: C15H21NO
• Molecular Mass: 231.33334
• Monoisotopic Mass: 231.1623143
• SMILES: C12(NCc3occc3)CC3CC(C1)CC(C2)C3
• Canonical SMILES: c1coc(c1)CNC12CC3CC(C2)CC(C1)C3
• InChI: InChI=1S/C15H21NO/c1-2-14(17-3-1)10-16-15-7-11-4-12(8-15)6-13(5-11)9-15/h1-3,11-13,16H,4-10H2
• InChIKey: BQJTZOSPFAXOEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03107002
• PubChem SID: 164311505
• PubChem CID: 5035176

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3940246
• LogD (pH = 7.4): 1.0082587
• Log P: 2.6832478
• Molar Refractivity: 67.3137 cm^3
• Polarizability: 26.789856 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.345

Product Information

• Purity: 95%