8-(2,6-dimethylhept-5-en-1-yl)-1,5-diazabicyclo[3.2.1]octane

• ChemBase ID: 185521
• Molecular Formular: C15H28N2
• Molecular Mass: 236.39622
• Monoisotopic Mass: 236.22524891
• SMILES: C1(N2CCN1CCC2)CC(CCC=C(C)C)C
• Canonical SMILES: CC(CC1N2CCCN1CC2)CCC=C(C)C
• InChI: InChI=1S/C15H28N2/c1-13(2)6-4-7-14(3)12-15-16-8-5-9-17(15)11-10-16/h6,14-15H,4-5,7-12H2,1-3H3
• InChIKey: SBBFMEILEONGTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,6-dimethylhept-5-en-1-yl)-1,5-diazabicyclo[3.2.1]octane
• IUPAC Traditional name: (1R,5S)-8-(2,6-dimethylhept-5-en-1-yl)-1,5-diazabicyclo[3.2.1]octane

Database IDs

• PubChem SID: 164241431
• PubChem CID: 3628081

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.47438437
• LogD (pH = 7.4): 2.240987
• Log P: 3.2935328
• Molar Refractivity: 76.0074 cm^3
• Polarizability: 29.763502 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Stereoisomers
• Classification: Rare Derivatives of Natural Compounds