2,2-dimethylpropanimidamide

• ChemBase ID: 264648
• Molecular Formular: C5H12N2
• Molecular Mass: 100.16218
• Monoisotopic Mass: 100.10004839
• SMILES: C(=N)(C(C)(C)C)N
• Canonical SMILES: NC(=N)C(C)(C)C
• InChI: InChI=1S/C5H12N2/c1-5(2,3)4(6)7/h1-3H3,(H3,6,7)
• InChIKey: FNHMJTUQUPQWJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethylpropanimidamide
• IUPAC Traditional name: 2,2-dimethylpropanimidamide
• Synonyms: 2,2-dimethylpropanimidamide; 2,2-DIMETHYLPROPIONAMIDINE

Database IDs

• CAS Number: 59950-56-0
• MDL Number: MFCD00628118
• PubChem SID: 164320558
• PubChem CID: 431752

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5763781
• LogD (pH = 7.4): -1.5760338
• Log P: 0.8390763
• Molar Refractivity: 40.7624 cm^3
• Polarizability: 11.801808 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.013

Product Information

• Purity: 95%; 98%