8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

• ChemBase ID: 281555
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: N1(C2CC(CC1CC2)N)C(C)C
• Canonical SMILES: NC1CC2CCC(C1)N2C(C)C
• InChI: InChI=1S/C10H20N2/c1-7(2)12-9-3-4-10(12)6-8(11)5-9/h7-10H,3-6,11H2,1-2H3
• InChIKey: SUBBDRAVZCPWEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
• IUPAC Traditional name: 8-isopropyl-8-azabicyclo[3.2.1]octan-3-amine
• Synonyms: 8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

Database IDs

• MDL Number: MFCD13196503
• PubChem SID: 180667086
• PubChem CID: 20628072

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.632153
• LogD (pH = 7.4): -3.9725084
• Log P: 0.70006186
• Molar Refractivity: 51.4187 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.546

Product Information

• Purity: 95%