1-(8-Nonenyl)-3,7-dimethylxanthine

HCID 15230635
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Basic information

Standard SMILES
C=CCCCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O
InChIKey
IPQJHACDCLKERB-UHFFFAOYSA-N
Molecular formula
C16H24N4O2
Average molar mass
304.39 g/mol

Names & identifiers

Preferred name
1-(8-Nonenyl)-3,7-dimethylxanthine
IUPAC
3,7-dimethyl-1-non-8-enylpurine-2,6-dione

Names & synonyms

SCHEMBL7609624IPQJHACDCLKERB-UHFFFAOYSA-N1-(8-nonenyl)-3,7-dimethylxanthine

Database identifiers

PubChem CID
15230635

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
58.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
22

Related reactions

25 records
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Compound notes

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