[2-(diethylamino)ethyl](propan-2-yl)amine

• ChemBase ID: 257625
• Molecular Formular: C9H22N2
• Molecular Mass: 158.28438
• Monoisotopic Mass: 158.17829871
• SMILES: N(CCNC(C)C)(CC)CC
• Canonical SMILES: CCN(CCNC(C)C)CC
• InChI: InChI=1S/C9H22N2/c1-5-11(6-2)8-7-10-9(3)4/h9-10H,5-8H2,1-4H3
• InChIKey: SRYCFYOMSLPFBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diethylamino)ethyl](propan-2-yl)amine
• IUPAC Traditional name: [2-(diethylamino)ethyl](isopropyl)amine
• Synonyms: N,N-diethyl-N'-isopropylethane-1,2-diamine

Database IDs

• MDL Number: MFCD11126745
• PubChem SID: 164313535
• PubChem CID: 12639037

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.476643
• LogD (pH = 7.4): -1.4804169
• Log P: 1.3127649
• Molar Refractivity: 51.3771 cm^3
• Polarizability: 20.399456 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.877

Product Information

• Purity: 95%