Compound Summary
8-Cyclopentyl-1,3-dipropylxanthine
Compound Information
8-Cyclopentyl-1,3-dipropylxanthine
Compound Name: | 8-Cyclopentyl-1,3-dipropylxanthine |
Compound CID: | 1329 |
Synonyms: | 8-Cyclopentyl-1,3-dipropylxanthine |
Iupac Name: | 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione |
InChI: | InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) |
InChIKey: | FFBDFADSZUINTG-UHFFFAOYSA-N |
Canonical Smiles: | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCCC3 |
Isomeric Smiles: | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCCC3 |
Molecular Weight: | 304.39 |
Molecular Formula: | C16H24N4O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
8-Cyclopentyl-1,3-dipropylxanthine
Molecular Weight: | 304.39 |
Molecular Formula: | C16H24N4O2 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 22 |
Complexity: | 436 |
Synonyms
8-Cyclopentyl-1,3-dipropylxanthine
Experimental Data
8-Cyclopentyl-1,3-dipropylxanthine
Experimental Data Visualization
8-Cyclopentyl-1,3-dipropylxanthine
Statistics Data
8-Cyclopentyl-1,3-dipropylxanthine
Statistics Data Visualization
8-Cyclopentyl-1,3-dipropylxanthine
