ethyl[3-(propylamino)propyl]amine

• ChemBase ID: 24479
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: N(CCCNCCC)CC
• Canonical SMILES: CCNCCCNCCC
• InChI: InChI=1S/C8H20N2/c1-3-6-10-8-5-7-9-4-2/h9-10H,3-8H2,1-2H3
• InChIKey: CCHLTSNIGITTBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[3-(propylamino)propyl]amine
• IUPAC Traditional name: ethyl[3-(propylamino)propyl]amine
• Synonyms: N1-Ethyl-N3-propyl-1,3-propanediamine

Database IDs

• MDL Number: MFCD10687363
• PubChem SID: 160987786
• PubChem CID: 21551620

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.412726
• LogD (pH = 7.4): -3.6222336
• Log P: 0.73881614
• Molar Refractivity: 46.3044 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false