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

• ChemBase ID: 257899
• Molecular Formular: C9H21N3
• Molecular Mass: 171.28314
• Monoisotopic Mass: 171.17354769
• SMILES: N1(CCN(CC1)CC)C(CN)C
• Canonical SMILES: NCC(N1CCN(CC1)CC)C
• InChI: InChI=1S/C9H21N3/c1-3-11-4-6-12(7-5-11)9(2)8-10/h9H,3-8,10H2,1-2H3
• InChIKey: CMCWUFRQQNSYGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06446940
• PubChem SID: 164313809
• PubChem CID: 16641858

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.7486033
• LogD (pH = 7.4): -2.9933681
• Log P: 0.013688215
• Molar Refractivity: 53.1554 cm^3
• Polarizability: 21.17821 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.383

Product Information

• Purity: 95%