8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile

• ChemBase ID: 248773
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: N1(C2CC(C#N)CC1CC2)C
• Canonical SMILES: N#CC1CC2CCC(C1)N2C
• InChI: InChI=1S/C9H14N2/c1-11-8-2-3-9(11)5-7(4-8)6-10/h7-9H,2-5H2,1H3
• InChIKey: DOUCIMIQXTWTDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
• IUPAC Traditional name: 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
• Synonyms: 8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile

Database IDs

• MDL Number: MFCD00970017
• PubChem SID: 164304683
• PubChem CID: 557623

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.3661265
• LogD (pH = 7.4): -0.7839767
• Log P: 0.8465606
• Molar Refractivity: 44.2307 cm^3
• Polarizability: 17.21714 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.022

Product Information

• Purity: 95%