2,2-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine

• ChemBase ID: 31499
• Molecular Formular: C10H23N3
• Molecular Mass: 185.30972
• Monoisotopic Mass: 185.18919775
• SMILES: N1(CC(CN)(C)C)CCN(CC1)C
• Canonical SMILES: NCC(CN1CCN(CC1)C)(C)C
• InChI: InChI=1S/C10H23N3/c1-10(2,8-11)9-13-6-4-12(3)5-7-13/h4-9,11H2,1-3H3
• InChIKey: NSYKKEXFLYMRPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
• IUPAC Traditional name: 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
• Synonyms: 2,2-Dimethyl-3-(4-methyl-piperazin-1-yl)-propylamine

Database IDs

• MDL Number: MFCD06740639
• PubChem SID: 160994806
• PubChem CID: 6501027

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.2880764
• LogD (pH = 7.4): -2.8903291
• Log P: 0.2719401
• Molar Refractivity: 57.6127 cm^3
• Polarizability: 23.024387 Å^3
• Polar Surface Area: 32.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%