[1-(pyridin-4-yl)cyclopentyl]methanamine dihydrochloride

• ChemBase ID: 245334
• Molecular Formular: C11H18Cl2N2
• Molecular Mass: 249.18002
• Monoisotopic Mass: 248.08470395
• SMILES: C1(c2ccncc2)(CN)CCCC1.Cl.Cl
• Canonical SMILES: NCC1(CCCC1)c1ccncc1.Cl.Cl
• InChI: InChI=1S/C11H16N2.2ClH/c12-9-11(5-1-2-6-11)10-3-7-13-8-4-10;;/h3-4,7-8H,1-2,5-6,9,12H2;2*1H
• InChIKey: UXQWTBMZQUASNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(pyridin-4-yl)cyclopentyl]methanamine dihydrochloride
• IUPAC Traditional name: [1-(pyridin-4-yl)cyclopentyl]methanamine dihydrochloride
• Synonyms: [1-(pyridin-4-yl)cyclopentyl]methanamine dihydrochloride

Database IDs

• MDL Number: MFCD23144037
• PubChem SID: 164301244
• PubChem CID: 71757685

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8207673
• LogD (pH = 7.4): -0.65638036
• Log P: 1.3383881
• Molar Refractivity: 53.399 cm^3
• Polarizability: 21.216314 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 240 - 242°C
• Hydrophobicity(logP): 1.488

Product Information

• Purity: 95%