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

• ChemBase ID: 18165
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(C(CC)CCCC1)CCN
• Canonical SMILES: NCCN1CCCCC1CC
• InChI: InChI=1S/C9H20N2/c1-2-9-5-3-4-7-11(9)8-6-10/h9H,2-8,10H2,1H3
• InChIKey: AKORAGHXVCPPSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethylpiperidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-ethylpiperidin-1-yl)ethanamine
• Synonyms: 2-(2-Ethyl-piperidin-1-yl)-ethylamine; 2-(2-ethylpiperidin-1-yl)ethan-1-amine

Database IDs

• CAS Number: 22014-04-6
• MDL Number: MFCD03030384
• PubChem SID: 160981472
• PubChem CID: 6422628

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6738744
• LogD (pH = 7.4): -1.5402663
• Log P: 1.1826493
• Molar Refractivity: 49.0227 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.8

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%