N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine

• ChemBase ID: 273195
• Molecular Formular: C11H23N3
• Molecular Mass: 197.32042
• Monoisotopic Mass: 197.18919775
• SMILES: N1(C2CCN(CC2)C)CC(CC1)NC
• Canonical SMILES: CNC1CCN(C1)C1CCN(CC1)C
• InChI: InChI=1S/C11H23N3/c1-12-10-3-8-14(9-10)11-4-6-13(2)7-5-11/h10-12H,3-9H2,1-2H3
• InChIKey: YQIZJCYKHRHHDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine
• IUPAC Traditional name: N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine
• Synonyms: N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine

Database IDs

• MDL Number: MFCD12167334
• PubChem SID: 164329105
• PubChem CID: 43373540

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.7911625
• LogD (pH = 7.4): -4.3959255
• Log P: -0.19922596
• Molar Refractivity: 60.7302 cm^3
• Polarizability: 24.131968 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.351

Product Information

• Purity: 95%