[1-(2-ethoxyethyl)cyclopentyl]methanamine

• ChemBase ID: 238335
• Molecular Formular: C10H21NO
• Molecular Mass: 171.27984
• Monoisotopic Mass: 171.1623143
• SMILES: C1(CN)(CCOCC)CCCC1
• Canonical SMILES: CCOCCC1(CN)CCCC1
• InChI: InChI=1S/C10H21NO/c1-2-12-8-7-10(9-11)5-3-4-6-10/h2-9,11H2,1H3
• InChIKey: ROBOTMSCERGPLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-ethoxyethyl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(2-ethoxyethyl)cyclopentyl]methanamine
• Synonyms: [1-(2-ethoxyethyl)cyclopentyl]methanamine

Database IDs

• MDL Number: MFCD16856102
• PubChem SID: 164294245
• PubChem CID: 62724287

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5848774
• LogD (pH = 7.4): -0.96144706
• Log P: 1.4300811
• Molar Refractivity: 51.4904 cm^3
• Polarizability: 20.644295 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.593

Product Information

• Purity: 95%