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

• ChemBase ID: 267919
• Molecular Formular: C11H20N2
• Molecular Mass: 180.2899
• Monoisotopic Mass: 180.16264865
• SMILES: N1(C2CC(CC1CCC2)N)C1CC1
• Canonical SMILES: NC1CC2CCCC(C1)N2C1CC1
• InChI: InChI=1S/C11H20N2/c12-8-6-10-2-1-3-11(7-8)13(10)9-4-5-9/h8-11H,1-7,12H2
• InChIKey: HRBBQZVAAHKYHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13196361
• PubChem SID: 164323829
• PubChem CID: 45792674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.531571
• LogD (pH = 7.4): -2.465221
• Log P: 0.8368121
• Molar Refractivity: 54.0635 cm^3
• Polarizability: 21.872458 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.591

Product Information

• Purity: 95%