2-methyl-6-(pyrrolidin-1-yl)pyridin-3-amine

• ChemBase ID: 240868
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: n1c(N2CCCC2)ccc(c1C)N
• Canonical SMILES: Cc1nc(ccc1N)N1CCCC1
• InChI: InChI=1S/C10H15N3/c1-8-9(11)4-5-10(12-8)13-6-2-3-7-13/h4-5H,2-3,6-7,11H2,1H3
• InChIKey: AEEHRUNJAZPPDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(pyrrolidin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 2-methyl-6-(pyrrolidin-1-yl)pyridin-3-amine
• Synonyms: 2-methyl-6-(pyrrolidin-1-yl)pyridin-3-amine

Database IDs

• MDL Number: MFCD14548345
• PubChem SID: 164296778
• PubChem CID: 57431523

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5787658
• LogD (pH = 7.4): 0.73003
• Log P: 1.1663165
• Molar Refractivity: 55.4761 cm^3
• Polarizability: 20.109493 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.595

Product Information

• Purity: 95%