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

• ChemBase ID: 281572
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(C2CC(CC1CC2)CN)C(C)C
• Canonical SMILES: NCC1CC2CCC(C1)N2C(C)C
• InChI: InChI=1S/C11H22N2/c1-8(2)13-10-3-4-11(13)6-9(5-10)7-12/h8-11H,3-7,12H2,1-2H3
• InChIKey: JVFMBGTYRJMVGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13196381
• PubChem SID: 180667103
• PubChem CID: 45792688

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.357768
• LogD (pH = 7.4): -4.591391
• Log P: 1.1606627
• Molar Refractivity: 56.2367 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.165

Product Information

• Purity: 95%