3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine

• ChemBase ID: 260120
• Molecular Formular: C10H23N3
• Molecular Mass: 185.30972
• Monoisotopic Mass: 185.18919775
• SMILES: N1(CC(CN)C)CCN(CC1)CC
• Canonical SMILES: NCC(CN1CCN(CC1)CC)C
• InChI: InChI=1S/C10H23N3/c1-3-12-4-6-13(7-5-12)9-10(2)8-11/h10H,3-9,11H2,1-2H3
• InChIKey: AGQISYKFYHHIMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
• IUPAC Traditional name: 3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
• Synonyms: 3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine

Database IDs

• MDL Number: MFCD09901921
• PubChem SID: 164316030
• PubChem CID: 24271953

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.710984
• LogD (pH = 7.4): -3.5260665
• Log P: 0.13639648
• Molar Refractivity: 58.0184 cm^3
• Polarizability: 23.024387 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.077

Product Information

• Purity: 95%