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

• ChemBase ID: 241960
• Molecular Formular: C7H18N2
• Molecular Mass: 130.23122
• Monoisotopic Mass: 130.14699859
• SMILES: N(CCNC(C)C)(C)C
• Canonical SMILES: CN(CCNC(C)C)C
• InChI: InChI=1S/C7H18N2/c1-7(2)8-5-6-9(3)4/h7-8H,5-6H2,1-4H3
• InChIKey: QXPRMANJAMOFLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)ethyl](propan-2-yl)amine
• IUPAC Traditional name: [2-(dimethylamino)ethyl](isopropyl)amine
• Synonyms: [2-(dimethylamino)ethyl](propan-2-yl)amine

Database IDs

• MDL Number: MFCD09042836
• PubChem SID: 164297870
• PubChem CID: 16770553

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7001822
• LogD (pH = 7.4): -2.0639875
• Log P: 0.59914905
• Molar Refractivity: 41.8799 cm^3
• Polarizability: 16.705751 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.819

Product Information

• Purity: 95%