ISOMETHEPTENE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03AX10
UNII: Y7L24THH6T

Structure
InChI Key XVQUOJBERHHONY-UHFFFAOYSA-N
Smile CNC(C)CCC=C(C)C
InChI
InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H19N
Molecular Weight 141.26
AlogP 2.34
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 10.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 134765
ChEMBL CHEMBL1697841
DrugBank DB06706
DrugCentral 1496
EPA CompTox DTXSID9023172
FDA SRS Y7L24THH6T
Human Metabolome Database HMDB0015651
PharmGKB PA165958379
PubChem 22297
SureChEMBL SCHEMBL148619
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