2-cyclopentyl-1-(pyrimidin-2-yl)ethan-1-amine hydrochloride

• ChemBase ID: 274319
• Molecular Formular: C11H18ClN3
• Molecular Mass: 227.73372
• Monoisotopic Mass: 227.11892527
• SMILES: c1(ncccn1)C(CC1CCCC1)N.Cl
• Canonical SMILES: NC(c1ncccn1)CC1CCCC1.Cl
• InChI: InChI=1S/C11H17N3.ClH/c12-10(8-9-4-1-2-5-9)11-13-6-3-7-14-11;/h3,6-7,9-10H,1-2,4-5,8,12H2;1H
• InChIKey: FKJPMYCEDGQJMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-1-(pyrimidin-2-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-cyclopentyl-1-(pyrimidin-2-yl)ethanamine hydrochloride
• Synonyms: 2-cyclopentyl-1-(pyrimidin-2-yl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD18838779
• PubChem SID: 164330229
• PubChem CID: 54593122

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.671
• LogD (pH = 7.4): 1.0575172
• Log P: 1.7611485
• Molar Refractivity: 56.2737 cm^3
• Polarizability: 22.22907 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.04

Product Information

• Purity: 95%