{8-propyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine

• ChemBase ID: 281573
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(C2CC(CC1CC2)CN)CCC
• Canonical SMILES: CCCN1C2CCC1CC(C2)CN
• InChI: InChI=1S/C11H22N2/c1-2-5-13-10-3-4-11(13)7-9(6-10)8-12/h9-11H,2-8,12H2,1H3
• InChIKey: JQSMTPXJVJJSFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {8-propyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine
• IUPAC Traditional name: {8-propyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine
• Synonyms: {8-propyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine

Database IDs

• MDL Number: MFCD13196382
• PubChem SID: 180667104
• PubChem CID: 45792689

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -5.251536
• LogD (pH = 7.4): -4.475529
• Log P: 1.2666099
• Molar Refractivity: 56.3419 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.385

Product Information

• Purity: 95%