6-tert-butylpyridine-3-carboximidamide

• ChemBase ID: 247452
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: c1(C(=N)N)cnc(C(C)(C)C)cc1
• Canonical SMILES: NC(=N)c1ccc(nc1)C(C)(C)C
• InChI: InChI=1S/C10H15N3/c1-10(2,3)8-5-4-7(6-13-8)9(11)12/h4-6H,1-3H3,(H3,11,12)
• InChIKey: MXWBPBJOIJAMJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-tert-butylpyridine-3-carboximidamide
• IUPAC Traditional name: 6-tert-butylpyridine-3-carboximidamide
• Synonyms: 6-tert-butylpyridine-3-carboximidamide

Database IDs

• MDL Number: MFCD18259415
• PubChem SID: 164303362
• PubChem CID: 57942756

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.80728626
• LogD (pH = 7.4): -0.7205229
• Log P: 1.6069485
• Molar Refractivity: 63.8675 cm^3
• Polarizability: 20.4121 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.499

Product Information

• Purity: 95%