2-amino-N-({8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methyl)acetamide dihydrochloride

• ChemBase ID: 266670
• Molecular Formular: C11H23Cl2N3O
• Molecular Mass: 284.22582
• Monoisotopic Mass: 283.12181773
• SMILES: N1(C2CC(CC1CC2)CNC(=O)CN)C.Cl.Cl
• Canonical SMILES: NCC(=O)NCC1CC2CCC(C1)N2C.Cl.Cl
• InChI: InChI=1S/C11H21N3O.2ClH/c1-14-9-2-3-10(14)5-8(4-9)7-13-11(15)6-12;;/h8-10H,2-7,12H2,1H3,(H,13,15);2*1H
• InChIKey: UOGJXNNWJIGTJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-({8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methyl)acetamide dihydrochloride
• IUPAC Traditional name: 2-amino-N-({8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methyl)acetamide dihydrochloride
• Synonyms: 2-amino-N-({8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methyl)acetamide dihydrochloride

Database IDs

• MDL Number: MFCD19442666
• PubChem SID: 164322580
• PubChem CID: 47002780

CALCULATED PROPERTIES

• Acid pKa: 15.945374
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.6473594
• LogD (pH = 7.4): -3.8896847
• Log P: -0.71800363
• Molar Refractivity: 59.8728 cm^3
• Polarizability: 23.793373 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 255 - 257°C
• Hydrophobicity(logP): -0.614

Product Information

• Purity: 95%