N,N-dimethyl-6-(pyrrolidin-2-yl)pyridin-2-amine dihydrochloride

• ChemBase ID: 62844
• Molecular Formular: C11H19Cl2N3
• Molecular Mass: 264.19466
• Monoisotopic Mass: 263.09560298
• SMILES: n1c(N(C)C)cccc1C1NCCC1.Cl.Cl
• Canonical SMILES: CN(c1cccc(n1)C1CCCN1)C.Cl.Cl
• InChI: InChI=1S/C11H17N3.2ClH/c1-14(2)11-7-3-5-10(13-11)9-6-4-8-12-9;;/h3,5,7,9,12H,4,6,8H2,1-2H3;2*1H
• InChIKey: FGGHBVOFLVAJHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-6-(pyrrolidin-2-yl)pyridin-2-amine dihydrochloride
• IUPAC Traditional name: N,N-dimethyl-6-(pyrrolidin-2-yl)pyridin-2-amine dihydrochloride
• Synonyms: Dimethyl-(6-pyrrolidin-2-yl-pyridin-2-yl)-amine dihydrochloride

Database IDs

• MDL Number: MFCD21606112
• PubChem SID: 162028583
• PubChem CID: 71298847

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.456993
• LogD (pH = 7.4): -0.33784795
• Log P: 1.7156492
• Molar Refractivity: 58.6553 cm^3
• Polarizability: 22.420004 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false