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

• ChemBase ID: 19496
• Molecular Formular: C14H26N2
• Molecular Mass: 222.36964
• Monoisotopic Mass: 222.20959884
• SMILES: C1(N(C2CCCCC2)C)CC2NC(C1)CC2
• Canonical SMILES: CN(C1CC2CCC(C1)N2)C1CCCCC1
• InChI: InChI=1S/C14H26N2/c1-16(13-5-3-2-4-6-13)14-9-11-7-8-12(10-14)15-11/h11-15H,2-10H2,1H3
• InChIKey: XLFOFZOBMGBKMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
• IUPAC Traditional name: N-cyclohexyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
• Synonyms: N-Cyclohexyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

Database IDs

• MDL Number: MFCD08688569
• PubChem SID: 160982803
• PubChem CID: 45075231

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.276526
• LogD (pH = 7.4): -2.609006
• Log P: 2.1585298
• Molar Refractivity: 68.0401 cm^3
• Polarizability: 27.410402 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false