2-(3-ethylpiperidin-1-yl)-2-methylpropan-1-amine

• ChemBase ID: 272971
• Molecular Formular: C11H24N2
• Molecular Mass: 184.32166
• Monoisotopic Mass: 184.19394878
• SMILES: N1(C(CN)(C)C)CC(CCC1)CC
• Canonical SMILES: CCC1CCCN(C1)C(CN)(C)C
• InChI: InChI=1S/C11H24N2/c1-4-10-6-5-7-13(8-10)11(2,3)9-12/h10H,4-9,12H2,1-3H3
• InChIKey: LCHLPUJNGYUNFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-ethylpiperidin-1-yl)-2-methylpropan-1-amine
• IUPAC Traditional name: 2-(3-ethylpiperidin-1-yl)-2-methylpropan-1-amine
• Synonyms: 2-(3-ethylpiperidin-1-yl)-2-methylpropan-1-amine

Database IDs

• MDL Number: MFCD12143219
• PubChem SID: 164328881
• PubChem CID: 43584343

CALCULATED PROPERTIES

• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.276205
• LogD (pH = 7.4): -1.2316165
• Log P: 1.750245
• Molar Refractivity: 58.2095 cm^3
• Polarizability: 23.35114 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.508

Product Information

• Purity: 95%