N-cyclobutyl-N-cyclopentylformamide

• ChemBase ID: 3690
• Molecular Formular: C10H17NO
• Molecular Mass: 167.24808
• Monoisotopic Mass: 167.13101417
• SMILES: N(C=O)(C1CCCC1)C1CCC1
• Canonical SMILES: O=CN(C1CCC1)C1CCCC1
• InChI: InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2
• InChIKey: DWGVYBRKKSJLNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-N-cyclopentylformamide
• IUPAC Traditional name: N-cyclobutyl-N-cyclopentylformamide
• Synonyms: N-Cyclopentyl-N-Cyclobutylformamide

Database IDs

• PubChem SID: 160967128; 46506821
• PubChem CID: 5287890

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6331886
• LogD (pH = 7.4): 1.6332
• Log P: 1.6332002
• Molar Refractivity: 47.9942 cm^3
• Polarizability: 18.897352 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 2.14
• LOG S: -1.41
• Solubility (Water): 6.45e+00 g/l

DETAILS

DrugBank - DB04065

Drug information: experimental