[8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine

• ChemBase ID: 281575
• Molecular Formular: C12H22N2
• Molecular Mass: 194.31648
• Monoisotopic Mass: 194.17829871
• SMILES: N1(C2CC(CC1CC2)CN)CC1CC1
• Canonical SMILES: NCC1CC2CCC(C1)N2CC1CC1
• InChI: InChI=1S/C12H22N2/c13-7-10-5-11-3-4-12(6-10)14(11)8-9-1-2-9/h9-12H,1-8,13H2
• InChIKey: WDTFYCOSMIXSEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine
• IUPAC Traditional name: [8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine
• Synonyms: [8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine

Database IDs

• MDL Number: MFCD13196384
• PubChem SID: 180667106
• PubChem CID: 45792691

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.352055
• LogD (pH = 7.4): -4.639611
• Log P: 1.1678569
• Molar Refractivity: 59.0113 cm^3
• Polarizability: 23.718283 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.13

Product Information

• Purity: 95%