1,8,8-trimethyl-3-azabicyclo[3.2.1]octane

• ChemBase ID: 265101
• Molecular Formular: C10H19N
• Molecular Mass: 153.26456
• Monoisotopic Mass: 153.15174961
• SMILES: C1(C2(CCC1CNC2)C)(C)C
• Canonical SMILES: CC1(C)C2CNCC1(C)CC2
• InChI: InChI=1S/C10H19N/c1-9(2)8-4-5-10(9,3)7-11-6-8/h8,11H,4-7H2,1-3H3
• InChIKey: CHRAJVQLWOMYQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
• IUPAC Traditional name: 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
• Synonyms: 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane

Database IDs

• MDL Number: MFCD01111067
• PubChem SID: 164321011
• PubChem CID: 536556

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.344092
• LogD (pH = 7.4): -0.9233958
• Log P: 1.8887745
• Molar Refractivity: 47.3982 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.806

Product Information

• Purity: 95%