2-amino-N-cyclopentyl-N-ethylpentanamide

• ChemBase ID: 242183
• Molecular Formular: C12H24N2O
• Molecular Mass: 212.33176
• Monoisotopic Mass: 212.1888634
• SMILES: C(=O)(N(C1CCCC1)CC)C(N)CCC
• Canonical SMILES: CCCC(C(=O)N(C1CCCC1)CC)N
• InChI: InChI=1S/C12H24N2O/c1-3-7-11(13)12(15)14(4-2)10-8-5-6-9-10/h10-11H,3-9,13H2,1-2H3
• InChIKey: QFEPATYFSLBDGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclopentyl-N-ethylpentanamide
• IUPAC Traditional name: 2-amino-N-cyclopentyl-N-ethylpentanamide
• Synonyms: 2-amino-N-cyclopentyl-N-ethylpentanamide

Database IDs

• MDL Number: MFCD12105403
• PubChem SID: 164298093
• PubChem CID: 43650316

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.93923676
• LogD (pH = 7.4): 0.67332137
• Log P: 1.7402991
• Molar Refractivity: 62.3997 cm^3
• Polarizability: 24.838331 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.193

Product Information

• Purity: 95%