3-(1-methylpyrrolidin-2-yl)pyridin-2-amine hydroiodide

• ChemBase ID: 119569
• Molecular Formular: C10H16IN3
• Molecular Mass: 305.15861
• Monoisotopic Mass: 305.03889553
• SMILES: c1(C2N(CCC2)C)c(nccc1)N.I
• Canonical SMILES: CN1CCCC1c1cccnc1N.I
• InChI: InChI=1S/C10H15N3.HI/c1-13-7-3-5-9(13)8-4-2-6-12-10(8)11;/h2,4,6,9H,3,5,7H2,1H3,(H2,11,12);1H
• InChIKey: QPTKKMOWYBHBKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-methylpyrrolidin-2-yl)pyridin-2-amine hydroiodide
• IUPAC Traditional name: 3-(1-methylpyrrolidin-2-yl)pyridin-2-amine hydroiodide
• Synonyms: 3-(1-methylpyrrolidin-2-yl)pyridin-2-amine hydroiodide

Database IDs

• PubChem SID: 162107669
• PubChem CID: 2827156

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1031175
• LogD (pH = 7.4): -0.36109135
• Log P: 0.92806625
• Molar Refractivity: 54.6689 cm^3
• Polarizability: 20.575676 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HI
• Classification: Derivatives & analogs of Natural Compounds