ISOAMINILE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: R05DB04
UNII: R4823W2PQL

Structure
InChI Key WFLSCFISQHLEED-UHFFFAOYSA-N
Smile CC(CC(C#N)(c1ccccc1)C(C)C)N(C)C
InChI
InChI=1S/C16H24N2/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15/h6-10,13-14H,11H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H24N2
Molecular Weight 244.38
AlogP 3.44
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 27.03
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 134996
ChEMBL CHEMBL2105002
DrugCentral 1487
EPA CompTox DTXSID5057830
FDA SRS R4823W2PQL
PubChem 6481
SureChEMBL SCHEMBL1642905
CONTENTS