ethyl[3-(4-methylpiperazin-1-yl)propyl]amine

• ChemBase ID: 24461
• Molecular Formular: C10H23N3
• Molecular Mass: 185.30972
• Monoisotopic Mass: 185.18919775
• SMILES: N1(CCN(CC1)C)CCCNCC
• Canonical SMILES: CCNCCCN1CCN(CC1)C
• InChI: InChI=1S/C10H23N3/c1-3-11-5-4-6-13-9-7-12(2)8-10-13/h11H,3-10H2,1-2H3
• InChIKey: IVCQNWFWUGMGBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[3-(4-methylpiperazin-1-yl)propyl]amine
• IUPAC Traditional name: ethyl[3-(4-methylpiperazin-1-yl)propyl]amine
• Synonyms: N-Ethyl-3-(4-methyl-1-piperazinyl)-1-propanamine

Database IDs

• MDL Number: MFCD10687347
• PubChem SID: 160987768
• PubChem CID: 28307156

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.813827
• LogD (pH = 7.4): -3.6984484
• Log P: 0.08965332
• Molar Refractivity: 58.3766 cm^3
• Polarizability: 23.024387 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false