6-(pyrrolidin-1-yl)pyridine-2-carboximidamide

• ChemBase ID: 242913
• Molecular Formular: C10H14N4
• Molecular Mass: 190.24496
• Monoisotopic Mass: 190.12184647
• SMILES: n1c(N2CCCC2)cccc1C(=N)N
• Canonical SMILES: NC(=N)c1cccc(n1)N1CCCC1
• InChI: InChI=1S/C10H14N4/c11-10(12)8-4-3-5-9(13-8)14-6-1-2-7-14/h3-5H,1-2,6-7H2,(H3,11,12)
• InChIKey: PIDZNSGGGBYWDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(pyrrolidin-1-yl)pyridine-2-carboximidamide
• IUPAC Traditional name: 6-(pyrrolidin-1-yl)pyridine-2-carboximidamide
• Synonyms: 6-(pyrrolidin-1-yl)pyridine-2-carboximidamide

Database IDs

• MDL Number: MFCD20367681
• PubChem SID: 164298823
• PubChem CID: 64594748

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2112296
• LogD (pH = 7.4): -0.3810141
• Log P: 1.170191
• Molar Refractivity: 67.4847 cm^3
• Polarizability: 20.901068 Å^3
• Polar Surface Area: 66.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.501

Product Information

• Purity: 95%