2-(2,6-dimethylpiperidin-1-yl)ethan-1-amine

• ChemBase ID: 11552
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(C(CCCC1C)C)CCN
• Canonical SMILES: NCCN1C(C)CCCC1C
• InChI: InChI=1S/C9H20N2/c1-8-4-3-5-9(2)11(8)7-6-10/h8-9H,3-7,10H2,1-2H3
• InChIKey: DQQHMRVHTMHDGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylpiperidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2,6-dimethylpiperidin-1-yl)ethanamine
• Synonyms: 2-(2,6-Dimethyl-piperidin-1-yl)-ethylamine; 2-(2,6-dimethylpiperidin-1-yl)ethan-1-amine

Database IDs

• CAS Number: 1788-35-8
• MDL Number: MFCD03701702
• PubChem SID: 160974859
• PubChem CID: 3149266

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7792635
• LogD (pH = 7.4): -1.6792312
• Log P: 1.0767019
• Molar Refractivity: 48.9175 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.79

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%