[3-(ethylamino)propyl](propan-2-yl)amine

• ChemBase ID: 24465
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: N(CCCNCC)C(C)C
• Canonical SMILES: CCNCCCNC(C)C
• InChI: InChI=1S/C8H20N2/c1-4-9-6-5-7-10-8(2)3/h8-10H,4-7H2,1-3H3
• InChIKey: RZJOWYYRVMKCDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(ethylamino)propyl](propan-2-yl)amine
• IUPAC Traditional name: [3-(ethylamino)propyl](isopropyl)amine
• Synonyms: N1-Ethyl-N3-isopropyl-1,3-propanediamine

Database IDs

• MDL Number: MFCD10687351
• PubChem SID: 160987772
• PubChem CID: 12860758

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.4995832
• LogD (pH = 7.4): -3.686353
• Log P: 0.63286877
• Molar Refractivity: 46.1992 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false