N-ethylcyclopentanamine

• ChemBase ID: 255522
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: N(C1CCCC1)CC
• Canonical SMILES: CCNC1CCCC1
• InChI: InChI=1S/C7H15N/c1-2-8-7-5-3-4-6-7/h7-8H,2-6H2,1H3
• InChIKey: SRTHFWNTKVOSBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylcyclopentanamine
• IUPAC Traditional name: N-ethylcyclopentanamine
• Synonyms: N-cyclopentyl-N-ethylamine; N-ethylcyclopentanamine

Database IDs

• CAS Number: 45592-46-9
• MDL Number: MFCD08691711
• PubChem SID: 164311432
• PubChem CID: 558581

CALCULATED PROPERTIES

• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.719105
• LogD (pH = 7.4): -1.4711972
• Log P: 1.5186313
• Molar Refractivity: 35.8552 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.483

Product Information

• Purity: 95%