(3-aminopropyl)(ethyl)methylamine

• ChemBase ID: 59160
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: N(CCCN)(CC)C
• Canonical SMILES: NCCCN(CC)C
• InChI: InChI=1S/C6H16N2/c1-3-8(2)6-4-5-7/h3-7H2,1-2H3
• InChIKey: FRVNYRKFLIOCNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)(ethyl)methylamine
• IUPAC Traditional name: (3-aminopropyl)(ethyl)methylamine
• Synonyms: N-Ethyl-N-methylpropane-1,3-diamine

Database IDs

• MDL Number: MFCD11130129
• PubChem SID: 162063923
• PubChem CID: 15667718

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.2625036
• LogD (pH = 7.4): -4.178445
• Log P: -0.19004665
• Molar Refractivity: 37.5519 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false