Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: B05CA01
UNII: CUB7JI0JV3

Structure

InChI Key NEUSVAOJNUQRTM-UHFFFAOYSA-N
Smile CCCCCCCCCCCCCCCC[n+]1ccccc1
InChI
InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H38N+
Molecular Weight 304.54
AlogP 6.46
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 15.0
Polar Surface Area 3.88
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

Cross References

Resources Reference
ChEBI 32914
ChEMBL CHEMBL305906
DrugBank DB11073
DrugCentral 3083
EPA CompTox DTXSID8047979
FDA SRS CUB7JI0JV3
PubChem 2683
SureChEMBL SCHEMBL122873
ZINC ZINC000006845963