{2-[bis(propan-2-yl)amino]ethyl}(methyl)amine

• ChemBase ID: 248776
• Molecular Formular: C9H22N2
• Molecular Mass: 158.28438
• Monoisotopic Mass: 158.17829871
• SMILES: N(C(C)C)(C(C)C)CCNC
• Canonical SMILES: CNCCN(C(C)C)C(C)C
• InChI: InChI=1S/C9H22N2/c1-8(2)11(9(3)4)7-6-10-5/h8-10H,6-7H2,1-5H3
• InChIKey: POBBCNIVOVKLLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[bis(propan-2-yl)amino]ethyl}(methyl)amine
• IUPAC Traditional name: [2-(diisopropylamino)ethyl](methyl)amine
• Synonyms: {2-[bis(propan-2-yl)amino]ethyl}(methyl)amine

Database IDs

• MDL Number: MFCD11150820
• PubChem SID: 164304686
• PubChem CID: 14979281

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5769536
• LogD (pH = 7.4): -1.2973193
• Log P: 1.372532
• Molar Refractivity: 51.0473 cm^3
• Polarizability: 20.399456 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.657

Product Information

• Purity: 95%