[3-(dimethylamino)propyl](propyl)amine

• ChemBase ID: 797904
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: C(CCNCCC)N(C)C
• Canonical SMILES: CCCNCCCN(C)C
• InChI: InChI=1S/C8H20N2/c1-4-6-9-7-5-8-10(2)3/h9H,4-8H2,1-3H3
• InChIKey: LVCAUABGOWBVQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(dimethylamino)propyl](propyl)amine
• IUPAC Traditional name: [3-(dimethylamino)propyl](propyl)amine
• Synonyms: N1,N1-dimethyl-N3-propylpropane-1,3-diamine

Database IDs

• CAS Number: 19745-28-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.976813
• LogD (pH = 7.4): -2.946066
• Log P: 0.76505613
• Molar Refractivity: 46.8505 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%