(2-aminoethyl)(methyl)(propan-2-yl)amine

• ChemBase ID: 268036
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: N(C(C)C)(CCN)C
• Canonical SMILES: NCCN(C(C)C)C
• InChI: InChI=1S/C6H16N2/c1-6(2)8(3)5-4-7/h6H,4-5,7H2,1-3H3
• InChIKey: QZNLXSYPOLTMIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(methyl)(propan-2-yl)amine
• IUPAC Traditional name: (2-aminoethyl)(isopropyl)methylamine
• Synonyms: (2-aminoethyl)(methyl)propan-2-ylamine; (2-aminoethyl)isopropyl(methyl)amine

Database IDs

• MDL Number: MFCD09731337
• PubChem SID: 164323946
• PubChem CID: 16784595

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.735844
• LogD (pH = 7.4): -2.4579582
• Log P: 0.16656864
• Molar Refractivity: 37.1053 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.515

Product Information

• Purity: 95%