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

• ChemBase ID: 15759
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CC(CCC1)CNC)C
• Canonical SMILES: CNCC1CCCN(C1)C
• InChI: InChI=1S/C8H18N2/c1-9-6-8-4-3-5-10(2)7-8/h8-9H,3-7H2,1-2H3
• InChIKey: OUBNEVZXIXKNJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methylpiperidin-3-yl)methyl]amine
• IUPAC Traditional name: methyl[(1-methylpiperidin-3-yl)methyl]amine
• Synonyms: N-Methyl-1-(1-methylpiperidin-3-yl)methanamine; N-methyl-(1-methylpiperid-3-yl)methylamine; methyl[(1-methylpiperidin-3-yl)methyl]amine

Database IDs

• CAS Number: 639078-61-8
• MDL Number: MFCD05864531
• PubChem SID: 160979066
• PubChem CID: 16640588

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.487943
• LogD (pH = 7.4): -3.4202027
• Log P: 0.33608514
• Molar Refractivity: 44.8637 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.011

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 90%; 95%