dimethyl({3-[(1-methylpiperidin-4-yl)amino]propyl})amine

• ChemBase ID: 14712
• Molecular Formular: C11H25N3
• Molecular Mass: 199.3363
• Monoisotopic Mass: 199.20484782
• SMILES: C1(CCN(CC1)C)NCCCN(C)C
• Canonical SMILES: CN(CCCNC1CCN(CC1)C)C
• InChI: InChI=1S/C11H25N3/c1-13(2)8-4-7-12-11-5-9-14(3)10-6-11/h11-12H,4-10H2,1-3H3
• InChIKey: PUDVDBBVMUOLCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({3-[(1-methylpiperidin-4-yl)amino]propyl})amine
• IUPAC Traditional name: dimethyl({3-[(1-methylpiperidin-4-yl)amino]propyl})amine
• Synonyms: N,N-Dimethyl-N'-(1-methyl-piperidin-4-yl)-propane-1,3-diamine

Database IDs

• MDL Number: MFCD03856662
• PubChem SID: 160978019
• PubChem CID: 3154331

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -7.7957025
• LogD (pH = 7.4): -4.3585076
• Log P: -0.08746808
• Molar Refractivity: 63.029 cm^3
• Polarizability: 24.87069 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