N-methyl-6-(pyrrolidin-2-yl)pyridin-2-amine dihydrochloride

• ChemBase ID: 62867
• Molecular Formular: C10H17Cl2N3
• Molecular Mass: 250.16808
• Monoisotopic Mass: 249.07995292
• SMILES: n1c(C2NCCC2)cccc1NC.Cl.Cl
• Canonical SMILES: CNc1cccc(n1)C1CCCN1.Cl.Cl
• InChI: InChI=1S/C10H15N3.2ClH/c1-11-10-6-2-4-9(13-10)8-5-3-7-12-8;;/h2,4,6,8,12H,3,5,7H2,1H3,(H,11,13);2*1H
• InChIKey: YWNDHRGWAYNOCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-6-(pyrrolidin-2-yl)pyridin-2-amine dihydrochloride
• IUPAC Traditional name: N-methyl-6-(pyrrolidin-2-yl)pyridin-2-amine dihydrochloride
• Synonyms: Methyl-(6-pyrrolidin-2-yl-pyridin-2-yl)-amine dihydrochloride

Database IDs

• MDL Number: MFCD21606135
• PubChem SID: 162028606
• PubChem CID: 71298869

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0946147
• LogD (pH = 7.4): -0.97749275
• Log P: 1.0803835
• Molar Refractivity: 54.4205 cm^3
• Polarizability: 20.575796 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false