5-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-amine

• ChemBase ID: 241378
• Molecular Formular: C11H18N4
• Molecular Mass: 206.28742
• Monoisotopic Mass: 206.1531466
• SMILES: N1(CC(CC1)N(C)C)c1cnc(N)cc1
• Canonical SMILES: CN(C1CCN(C1)c1ccc(nc1)N)C
• InChI: InChI=1S/C11H18N4/c1-14(2)10-5-6-15(8-10)9-3-4-11(12)13-7-9/h3-4,7,10H,5-6,8H2,1-2H3,(H2,12,13)
• InChIKey: MUZKJZJKWSWAGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-amine
• IUPAC Traditional name: 5-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-amine
• Synonyms: 5-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-amine

Database IDs

• MDL Number: MFCD18260579
• PubChem SID: 164297288
• PubChem CID: 21105521

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.7716136
• LogD (pH = 7.4): -1.3382306
• Log P: 0.5959952
• Molar Refractivity: 63.9293 cm^3
• Polarizability: 23.55532 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.763

Product Information

• Purity: 95%