9-propyl-9-azabicyclo[3.3.1]nonan-3-amine

• ChemBase ID: 281553
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(C2CC(CC1CCC2)N)CCC
• Canonical SMILES: CCCN1C2CCCC1CC(C2)N
• InChI: InChI=1S/C11H22N2/c1-2-6-13-10-4-3-5-11(13)8-9(12)7-10/h9-11H,2-8,12H2,1H3
• InChIKey: IKEBMOCCIOXNPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
• IUPAC Traditional name: 9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
• Synonyms: 9-propyl-9-azabicyclo[3.3.1]nonan-3-amine

Database IDs

• MDL Number: MFCD13196360
• PubChem SID: 180667084
• PubChem CID: 45792673

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.4145737
• LogD (pH = 7.4): -2.3250663
• Log P: 1.2505779
• Molar Refractivity: 56.1249 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): 1.325

Product Information

• Purity: 95%