3-(2-cyclohexylethyl)pyridin-4-amine hydrochloride

• ChemBase ID: 236153
• Molecular Formular: C13H21ClN2
• Molecular Mass: 240.77224
• Monoisotopic Mass: 240.13932636
• SMILES: c1(c(N)ccnc1)CCC1CCCCC1.Cl
• Canonical SMILES: Nc1ccncc1CCC1CCCCC1.Cl
• InChI: InChI=1S/C13H20N2.ClH/c14-13-8-9-15-10-12(13)7-6-11-4-2-1-3-5-11;/h8-11H,1-7H2,(H2,14,15);1H
• InChIKey: QHRMTUSDEAFRCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-cyclohexylethyl)pyridin-4-amine hydrochloride
• IUPAC Traditional name: 3-(2-cyclohexylethyl)pyridin-4-amine hydrochloride
• Synonyms: 3-(2-cyclohexylethyl)pyridin-4-amine hydrochloride

Database IDs

• MDL Number: MFCD22196525
• PubChem SID: 164292063
• PubChem CID: 71755649

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9461334
• LogD (pH = 7.4): 1.9946218
• Log P: 2.930774
• Molar Refractivity: 63.9951 cm^3
• Polarizability: 24.509264 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.946

Product Information

• Purity: 95%