{9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl}methanamine

• ChemBase ID: 281569
• Molecular Formular: C12H22N2
• Molecular Mass: 194.31648
• Monoisotopic Mass: 194.17829871
• SMILES: N1(C2CC(CC1CCC2)CN)C1CC1
• Canonical SMILES: NCC1CC2CCCC(C1)N2C1CC1
• InChI: InChI=1S/C12H22N2/c13-8-9-6-11-2-1-3-12(7-9)14(11)10-4-5-10/h9-12H,1-8,13H2
• InChIKey: JYQFPQXHTQPKST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl}methanamine
• IUPAC Traditional name: {9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl}methanamine
• Synonyms: {9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl}methanamine

Database IDs

• MDL Number: MFCD13196378
• PubChem SID: 180667100
• PubChem CID: 45792686

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.9548273
• LogD (pH = 7.4): -2.9755824
• Log P: 1.2974129
• Molar Refractivity: 58.8815 cm^3
• Polarizability: 23.718283 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.21

Product Information

• Purity: 95%