8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-amine

• ChemBase ID: 281557
• Molecular Formular: C10H18N2
• Molecular Mass: 166.26332
• Monoisotopic Mass: 166.14699859
• SMILES: N1(C2CC(CC1CC2)N)C1CC1
• Canonical SMILES: NC1CC2CCC(C1)N2C1CC1
• InChI: InChI=1S/C10H18N2/c11-7-5-9-3-4-10(6-7)12(9)8-1-2-8/h7-10H,1-6,11H2
• InChIKey: AVEFUDNRJSXHMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-amine
• IUPAC Traditional name: 8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-amine
• Synonyms: 8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-amine

Database IDs

• MDL Number: MFCD13196366
• PubChem SID: 180667088
• PubChem CID: 45792677

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.795123
• LogD (pH = 7.4): -3.900148
• Log P: 0.39224342
• Molar Refractivity: 49.4625 cm^3
• Polarizability: 20.026846 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.032

Product Information

• Purity: 95%