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

• ChemBase ID: 275952
• Molecular Formular: C11H19Cl2N3
• Molecular Mass: 264.19466
• Monoisotopic Mass: 263.09560298
• SMILES: n1c(NCC2NCCC2)cccc1C.Cl.Cl
• Canonical SMILES: Cc1cccc(n1)NCC1CCCN1.Cl.Cl
• InChI: InChI=1S/C11H17N3.2ClH/c1-9-4-2-6-11(14-9)13-8-10-5-3-7-12-10;;/h2,4,6,10,12H,3,5,7-8H2,1H3,(H,13,14);2*1H
• InChIKey: FYTCWGOPATXJAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18917426
• PubChem SID: 164331862
• PubChem CID: 54593935

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5455444
• LogD (pH = 7.4): -1.8388711
• Log P: 1.0553403
• Molar Refractivity: 58.9355 cm^3
• Polarizability: 22.34636 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 184 - 186°C
• Hydrophobicity(logP): 1.931

Product Information

• Purity: 95%