2-(azepan-1-yl)pyridin-3-amine hydrochloride

• ChemBase ID: 120783
• Molecular Formular: C11H18ClN3
• Molecular Mass: 227.73372
• Monoisotopic Mass: 227.11892527
• SMILES: c1(N2CCCCCC2)ncccc1N.Cl
• Canonical SMILES: Nc1cccnc1N1CCCCCC1.Cl
• InChI: InChI=1S/C11H17N3.ClH/c12-10-6-5-7-13-11(10)14-8-3-1-2-4-9-14;/h5-7H,1-4,8-9,12H2;1H
• InChIKey: FZJVINGTDQNXTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(azepan-1-yl)pyridin-3-amine hydrochloride
• IUPAC Traditional name: 2-(azepan-1-yl)pyridin-3-amine hydrochloride
• Synonyms: 2-(azepan-1-yl)pyridin-3-amine hydrochloride

Database IDs

• PubChem SID: 162215136
• PubChem CID: 56723880

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7133003
• LogD (pH = 7.4): 1.7822716
• Log P: 1.9240836
• Molar Refractivity: 60.0866 cm^3
• Polarizability: 22.031488 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl