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

• ChemBase ID: 263014
• Molecular Formular: C11H20N2
• Molecular Mass: 180.2899
• Monoisotopic Mass: 180.16264865
• SMILES: N1(C2CC2)CC2C(C(C1)CCC2)N
• Canonical SMILES: NC1C2CCCC1CN(C2)C1CC1
• InChI: InChI=1S/C11H20N2/c12-11-8-2-1-3-9(11)7-13(6-8)10-4-5-10/h8-11H,1-7,12H2
• InChIKey: YBNDKBXKCWEVLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13590578
• PubChem SID: 164318924
• PubChem CID: 43810983

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.891579
• LogD (pH = 7.4): -2.8496747
• Log P: 0.80640167
• Molar Refractivity: 54.2127 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): 1.764

Product Information

• Purity: 95%