{8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine dihydrochloride

• ChemBase ID: 261613
• Molecular Formular: C9H20Cl2N2
• Molecular Mass: 227.1745
• Monoisotopic Mass: 226.10035401
• SMILES: N1(C2CC(CC1CC2)CN)C.Cl.Cl
• Canonical SMILES: NCC1CC2CCC(C1)N2C.Cl.Cl
• InChI: InChI=1S/C9H18N2.2ClH/c1-11-8-2-3-9(11)5-7(4-8)6-10;;/h7-9H,2-6,10H2,1H3;2*1H
• InChIKey: JYVBDRUVNDRLHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine dihydrochloride
• IUPAC Traditional name: {8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine dihydrochloride
• Synonyms: {8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine dihydrochloride

Database IDs

• MDL Number: MFCD19442657
• PubChem SID: 164317523
• PubChem CID: 45791847

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.11313
• LogD (pH = 7.4): -4.9687862
• Log P: 0.38727963
• Molar Refractivity: 47.0693 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.327

Product Information

• Purity: 95%