(2-aminoethyl)(ethyl)propylamine

• ChemBase ID: 285788
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: N(CCN)(CC)CCC
• Canonical SMILES: CCCN(CCN)CC
• InChI: InChI=1S/C7H18N2/c1-3-6-9(4-2)7-5-8/h3-8H2,1-2H3
• InChIKey: MRFUPHOVJBIRCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(ethyl)propylamine
• IUPAC Traditional name: (2-aminoethyl)(ethyl)propylamine
• Synonyms: (2-aminoethyl)(ethyl)propylamine

Database IDs

• MDL Number: MFCD01317551
• PubChem SID: 180671319
• PubChem CID: 23598332

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1376832
• LogD (pH = 7.4): -1.9530147
• Log P: 0.62932396
• Molar Refractivity: 41.9591 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.264

Product Information

• Purity: 95%