1-Methyl-3-isobutylxanthine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 688
Total Number of Articles : 1015
PubChem 3758
Molecular Formula

C10H14N4O2

SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2

InChI

InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)

synonyms
  • 3-Isobutyl-1-methylxanthine
  • IBMX
  • 28822-58-4
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Properties
Property Value
MW 222.24 g/mol
HBD 1
HBA 3
Rotatable Bond Count 2
Exact Mass 222.11167570 g/mol
Monoisotopic Mass 222.11167570 g/mol
Heavy Atom Count 16
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 318
xlogp 1.5
Topological Polar Surface Area 69.3