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

• ChemBase ID: 11081
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: N1(C2CC(CC1CC2)NCc1ccccc1)C
• Canonical SMILES: CN1C2CCC1CC(C2)NCc1ccccc1
• InChI: InChI=1S/C15H22N2/c1-17-14-7-8-15(17)10-13(9-14)16-11-12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3
• InChIKey: IJBWOPMYRYEKGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
• IUPAC Traditional name: N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
• Synonyms: N-Benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine; Benzyl-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amine

Database IDs

• CAS Number: 101353-61-1
• MDL Number: MFCD06799408
• PubChem SID: 160974388
• PubChem CID: 2802764

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6248503
• LogD (pH = 7.4): -1.3299879
• Log P: 2.0837324
• Molar Refractivity: 71.6385 cm^3
• Polarizability: 28.551064 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

Product Information

• Purity: 95+%