2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine

• ChemBase ID: 17210
• Molecular Formular: C9H21N3
• Molecular Mass: 171.28314
• Monoisotopic Mass: 171.17354769
• SMILES: C(CN1CCN(CC1)C)(C)(C)N
• Canonical SMILES: CN1CCN(CC1)CC(N)(C)C
• InChI: InChI=1S/C9H21N3/c1-9(2,10)8-12-6-4-11(3)5-7-12/h4-8,10H2,1-3H3
• InChIKey: GBADJQGJTQQHGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine
• IUPAC Traditional name: 2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine
• Synonyms: 2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine; 1,1-Dimethyl-2-(4-methyl-piperazin-1-yl)-ethylamine

Database IDs

• CAS Number: 84725-48-4
• MDL Number: MFCD06751854
• PubChem SID: 160980517
• PubChem CID: 3159678

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.464765
• LogD (pH = 7.4): -3.0654867
• Log P: -0.06254307
• Molar Refractivity: 53.045 cm^3
• Polarizability: 21.17821 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false