3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine

• ChemBase ID: 257264
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N1(C(C(C)C)CN)CCC(CC1)C
• Canonical SMILES: NCC(N1CCC(CC1)C)C(C)C
• InChI: InChI=1S/C11H24N2/c1-9(2)11(8-12)13-6-4-10(3)5-7-13/h9-11H,4-8,12H2,1-3H3
• InChIKey: PKIPECFUQYPWAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
• IUPAC Traditional name: 3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
• Synonyms: 3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine

Database IDs

• MDL Number: MFCD09259720
• PubChem SID: 164313174
• PubChem CID: 16791955

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.155179
• LogD (pH = 7.4): -1.1163956
• Log P: 1.8346411
• Molar Refractivity: 58.0429 cm^3
• Polarizability: 23.35114 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.639

Product Information

• Purity: 95%