(1-ethylcyclopentyl)methanamine

• ChemBase ID: 238629
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C1(CN)(CC)CCCC1
• Canonical SMILES: CCC1(CN)CCCC1
• InChI: InChI=1S/C8H17N/c1-2-8(7-9)5-3-4-6-8/h2-7,9H2,1H3
• InChIKey: OTQXRFMVYKTLAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethylcyclopentyl)methanamine
• IUPAC Traditional name: (1-ethylcyclopentyl)methanamine
• Synonyms: (1-ethylcyclopentyl)methanamine

Database IDs

• MDL Number: MFCD16859983
• PubChem SID: 164294539
• PubChem CID: 60037003

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.14825
• LogD (pH = 7.4): -0.5269032
• Log P: 1.8668252
• Molar Refractivity: 40.0619 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.475

Product Information

• Purity: 95%