2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine

• ChemBase ID: 308117
• Molecular Formular: C10H23N3
• Molecular Mass: 185.30972
• Monoisotopic Mass: 185.18919775
• SMILES: N1(C(CN)(C)C)CCN(CC1)CC
• Canonical SMILES: CCN1CCN(CC1)C(CN)(C)C
• InChI: InChI=1S/C10H23N3/c1-4-12-5-7-13(8-6-12)10(2,3)9-11/h4-9,11H2,1-3H3
• InChIKey: QMKLDYLDJQCZNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
• IUPAC Traditional name: 2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
• Synonyms: 2-(4-ethyl-1-piperazinyl)-2-methyl-1-propanamine

Database IDs

• CAS Number: 891643-94-0
• MDL Number: MFCD05201609

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.444573
• LogD (pH = 7.4): -2.7402081
• Log P: 0.29426488
• Molar Refractivity: 57.7936 cm^3
• Polarizability: 23.024387 Å^3
• Polar Surface Area: 32.5 Å^2