2-(2-methylpiperidin-1-yl)ethan-1-amine

• ChemBase ID: 11546
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: C1CCC(N(C1)CCN)C
• Canonical SMILES: NCCN1CCCCC1C
• InChI: InChI=1S/C8H18N2/c1-8-4-2-3-6-10(8)7-5-9/h8H,2-7,9H2,1H3
• InChIKey: DBSDZVMWEMKFCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpiperidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-methylpiperidin-1-yl)ethanamine
• Synonyms: 2-(2-Methyl-piperidin-1-yl)-ethylamine; 2-(2-methyl-1-piperidinyl)ethanamine; 2-(2-methylpiperidin-1-yl)ethanamine

Database IDs

• CAS Number: 768-08-1
• MDL Number: MFCD03030380
• PubChem SID: 160974853
• PubChem CID: 3149263

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0935652
• LogD (pH = 7.4): -1.8950553
• Log P: 0.6601268
• Molar Refractivity: 44.4987 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.271

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%