N-(adamantan-2-yl)adamantan-2-amine

• ChemBase ID: 24951
• Molecular Formular: C20H31N
• Molecular Mass: 285.46684
• Monoisotopic Mass: 285.24565
• SMILES: N(C1C2CC3CC1CC(C2)C3)C1C2CC3CC1CC(C2)C3
• Canonical SMILES: N(C1C2CC3CC1CC(C2)C3)C1C2CC3CC1CC(C2)C3
• InChI: InChI=1S/C20H31N/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-20-17-7-13-2-14(9-17)10-18(20)8-13/h11-21H,1-10H2
• InChIKey: HIHPVMOIODYXNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(adamantan-2-yl)adamantan-2-amine
• IUPAC Traditional name: N-(adamantan-2-yl)adamantan-2-amine
• Synonyms: Di-adamantan-2-yl-amine

Database IDs

• MDL Number: MFCD02641388
• PubChem SID: 160988258
• PubChem CID: 3725304

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.9171738
• LogD (pH = 7.4): 0.9524372
• Log P: 4.1587267
• Molar Refractivity: 85.5938 cm^3
• Polarizability: 34.750088 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false