3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine

• ChemBase ID: 281968
• Molecular Formular: C9H16N2
• Molecular Mass: 152.23674
• Monoisotopic Mass: 152.13134852
• SMILES: N1(C2CC2)CC2C(C(C1)C2)N
• Canonical SMILES: NC1C2CN(CC1C2)C1CC1
• InChI: InChI=1S/C9H16N2/c10-9-6-3-7(9)5-11(4-6)8-1-2-8/h6-9H,1-5,10H2
• InChIKey: VXCGREQEIZWXFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine
• IUPAC Traditional name: 3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine
• Synonyms: 3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine

Database IDs

• MDL Number: MFCD19442716
• PubChem SID: 180667499
• PubChem CID: 47003630

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.928677
• LogD (pH = 7.4): -3.7990901
• Log P: -0.08273565
• Molar Refractivity: 45.0107 cm^3
• Polarizability: 18.181505 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.646

Product Information

• Purity: 95%