1-(8-Diethylamino-5-hydroxy-5-methyl-6-octynyl)-3-methyl-7-propylxanthine

HCID 9868547
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCn1cnc2c1c(=O)n(CCCCC(C)(O)C#CCN(CC)CC)c(=O)n2C
InChIKey
UFMUDMAHXLBOTC-UHFFFAOYSA-N
Molecular formula
C22H35N5O3
Average molar mass
417.5 g/mol
Monoisotopic mass
417.27399

Names & identifiers

Preferred name
1-(8-Diethylamino-5-hydroxy-5-methyl-6-octynyl)-3-methyl-7-propylxanthine
IUPAC
1-[8-(diethylamino)-5-hydroxy-5-methyloct-6-ynyl]-3-methyl-7-propylpurine-2,6-dione

Names & synonyms

SCHEMBL8480538UFMUDMAHXLBOTC-UHFFFAOYSA-N1-(8-Diethylamino-5-hydroxy-5-methyl-6-octynyl)-3-methyl-7-propylxanthine

Database identifiers

PubChem CID
9868547

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
81.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
30

Related reactions

3 records
New reaction record

Compound notes

Loading…