N-benzyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride

• ChemBase ID: 19497
• Molecular Formular: C15H24Cl2N2
• Molecular Mass: 303.27046
• Monoisotopic Mass: 302.13165414
• SMILES: C1(N(Cc2ccccc2)C)CC2NC(C1)CC2.Cl.Cl
• Canonical SMILES: CN(C1CC2CCC(C1)N2)Cc1ccccc1.Cl.Cl
• InChI: InChI=1S/C15H22N2.2ClH/c1-17(11-12-5-3-2-4-6-12)15-9-13-7-8-14(10-15)16-13;;/h2-6,13-16H,7-11H2,1H3;2*1H
• InChIKey: PMOVHXJMHDEHLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride
• IUPAC Traditional name: N-benzyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride
• Synonyms: N-Benzyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride

Database IDs

• MDL Number: MFCD09475411
• PubChem SID: 160982804
• PubChem CID: 45075232

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6941266
• LogD (pH = 7.4): -1.827504
• Log P: 2.0837324
• Molar Refractivity: 71.6385 cm^3
• Polarizability: 28.551031 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false