[2-(diethylamino)ethyl](2-methylpropyl)amine

• ChemBase ID: 257215
• Molecular Formular: C10H24N2
• Molecular Mass: 172.31096
• Monoisotopic Mass: 172.19394878
• SMILES: N(CCNCC(C)C)(CC)CC
• Canonical SMILES: CCN(CCNCC(C)C)CC
• InChI: InChI=1S/C10H24N2/c1-5-12(6-2)8-7-11-9-10(3)4/h10-11H,5-9H2,1-4H3
• InChIKey: YLJRIMQQJHWOEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diethylamino)ethyl](2-methylpropyl)amine
• IUPAC Traditional name: [2-(diethylamino)ethyl](2-methylpropyl)amine
• Synonyms: N,N-diethyl-N'-isobutylethane-1,2-diamine

Database IDs

• MDL Number: MFCD11099623
• PubChem SID: 164313125
• PubChem CID: 20735608

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0520687
• LogD (pH = 7.4): -1.1576009
• Log P: 1.7836851
• Molar Refractivity: 55.9539 cm^3
• Polarizability: 22.246355 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.496

Product Information

• Purity: 95%