(3-aminopropyl)(ethyl)amine

• ChemBase ID: 24413
• Molecular Formular: C5H14N2
• Molecular Mass: 102.17806
• Monoisotopic Mass: 102.11569846
• SMILES: N(CCCN)CC
• Canonical SMILES: NCCCNCC
• InChI: InChI=1S/C5H14N2/c1-2-7-5-3-4-6/h7H,2-6H2,1H3
• InChIKey: ODGYWRBCQWKSSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)(ethyl)amine
• IUPAC Traditional name: (3-aminopropyl)(ethyl)amine
• Synonyms: N1-Ethyl-1,3-propanediamine

Database IDs

• MDL Number: MFCD00014829
• PubChem SID: 160987720
• PubChem CID: 82727

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.4144826
• LogD (pH = 7.4): -4.5187325
• Log P: -0.5730946
• Molar Refractivity: 32.2572 cm^3
• Polarizability: 13.012255 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false