(5S)-N-cyclopropyl-1-azabicyclo[3.3.1]nonan-3-amine

• ChemBase ID: 243536
• Molecular Formular: C11H20N2
• Molecular Mass: 180.2899
• Monoisotopic Mass: 180.16264865
• SMILES: N12CC(NC3CC3)C[C@@H](C1)CCC2
• Canonical SMILES: C1C[C@@H]2CN(C1)CC(C2)NC1CC1
• InChI: InChI=1S/C11H20N2/c1-2-9-6-11(12-10-3-4-10)8-13(5-1)7-9/h9-12H,1-8H2/t9-,11?/m0/s1
• InChIKey: KBSSZKNWBQABTA-FTNKSUMCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5S)-N-cyclopropyl-1-azabicyclo[3.3.1]nonan-3-amine
• IUPAC Traditional name: (5S)-N-cyclopropyl-1-azabicyclo[3.3.1]nonan-3-amine
• Synonyms: (5S)-N-cyclopropyl-1-azabicyclo[3.3.1]nonan-3-amine

Database IDs

• MDL Number: MFCD22578693
• PubChem SID: 164299446
• PubChem CID: 71757274

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4499128
• LogD (pH = 7.4): -1.4567654
• Log P: 1.0929037
• Molar Refractivity: 54.4759 cm^3
• Polarizability: 21.872458 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.348

Product Information

• Purity: 95%