[4-(diethylamino)butyl](methyl)amine

• ChemBase ID: 235475
• Molecular Formular: C9H22N2
• Molecular Mass: 158.28438
• Monoisotopic Mass: 158.17829871
• SMILES: N(CC)(CC)CCCCNC
• Canonical SMILES: CNCCCCN(CC)CC
• InChI: InChI=1S/C9H22N2/c1-4-11(5-2)9-7-6-8-10-3/h10H,4-9H2,1-3H3
• InChIKey: JSMPEGRPXGJWRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(diethylamino)butyl](methyl)amine
• IUPAC Traditional name: [4-(diethylamino)butyl](methyl)amine
• Synonyms: [4-(diethylamino)butyl](methyl)amine

Database IDs

• MDL Number: MFCD12161265
• PubChem SID: 164291385
• PubChem CID: 20194295

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.599204
• LogD (pH = 7.4): -4.5870595
• Log P: 1.1167043
• Molar Refractivity: 51.7197 cm^3
• Polarizability: 20.399456 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.922

Product Information

• Purity: 95%