N-[3-(dimethylamino)propyl]ethanimidamide hydroiodide

• ChemBase ID: 81133
• Molecular Formular: C7H18IN3
• Molecular Mass: 271.14239
• Monoisotopic Mass: 271.05454559
• SMILES: N=C(NCCCN(C)C)C.I
• Canonical SMILES: CN(CCCNC(=N)C)C.I
• InChI: InChI=1S/C7H17N3.HI/c1-7(8)9-5-4-6-10(2)3;/h4-6H2,1-3H3,(H2,8,9);1H
• InChIKey: UOZVUIHYFABRLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]ethanimidamide hydroiodide
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]ethanimidamide hydroiodide
• Synonyms: N1-[3-(dimethylamino)propyl]ethanimidamide hydroiodide

Database IDs

• MDL Number: MFCD00208466
• PubChem SID: 162068252
• PubChem CID: 2776967

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.2121816
• LogD (pH = 7.4): -4.6106396
• Log P: -0.6042465
• Molar Refractivity: 54.7191 cm^3
• Polarizability: 17.014591 Å^3
• Polar Surface Area: 39.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true