3-(dimethylamino)propanimidamide

• ChemBase ID: 308743
• Molecular Formular: C5H13N3
• Molecular Mass: 115.17682
• Monoisotopic Mass: 115.11094743
• SMILES: C(=N)(CCN(C)C)N
• Canonical SMILES: CN(CCC(=N)N)C
• InChI: InChI=1S/C5H13N3/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3,(H3,6,7)
• InChIKey: LIYWOKKWHOKFBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethylamino)propanimidamide
• IUPAC Traditional name: 3-(dimethylamino)propanimidamide
• Synonyms: 3-(dimethylamino)propanimidamide

Database IDs

• CAS Number: 885959-94-4
• MDL Number: MFCD05663031

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.5623736
• LogD (pH = 7.4): -3.8223433
• Log P: -0.83194894
• Molar Refractivity: 45.1884 cm^3
• Polarizability: 13.327975 Å^3
• Polar Surface Area: 53.11 Å^2