[(1-ethylpiperidin-3-yl)methyl](methyl)amine

• ChemBase ID: 306941
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CC(CNC)CCC1)CC
• Canonical SMILES: CNCC1CCCN(C1)CC
• InChI: InChI=1S/C9H20N2/c1-3-11-6-4-5-9(8-11)7-10-2/h9-10H,3-8H2,1-2H3
• InChIKey: CWENJDZQKVBYRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethylpiperidin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(1-ethylpiperidin-3-yl)methyl](methyl)amine
• Synonyms: 1-(1-ethylpiperidin-3-yl)-N-methylmethanamine

Database IDs

• CAS Number: 937648-03-8
• MDL Number: MFCD08572188

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.3416967
• LogD (pH = 7.4): -3.2971134
• Log P: 0.6928931
• Molar Refractivity: 49.6123 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2