4-ethyl-2-(piperidin-2-yl)hexan-1-amine

• ChemBase ID: 274529
• Molecular Formular: C13H28N2
• Molecular Mass: 212.37482
• Monoisotopic Mass: 212.22524891
• SMILES: C(C1NCCCC1)(CC(CC)CC)CN
• Canonical SMILES: NCC(C1CCCCN1)CC(CC)CC
• InChI: InChI=1S/C13H28N2/c1-3-11(4-2)9-12(10-14)13-7-5-6-8-15-13/h11-13,15H,3-10,14H2,1-2H3
• InChIKey: ZTIWCHDIIPTXKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-2-(piperidin-2-yl)hexan-1-amine
• IUPAC Traditional name: 4-ethyl-2-(piperidin-2-yl)hexan-1-amine
• Synonyms: 4-ethyl-2-(piperidin-2-yl)hexan-1-amine

Database IDs

• MDL Number: MFCD18838861
• PubChem SID: 164330439
• PubChem CID: 54593222

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.369293
• LogD (pH = 7.4): -1.5297352
• Log P: 2.524848
• Molar Refractivity: 66.6898 cm^3
• Polarizability: 27.04461 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.507

Product Information

• Purity: 95%