(E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine

C13H23NOS — CID 123168827

IUPAC(E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine
SMILESCC/N=C(C)/C(SC)=C(/C)OC(C)=C(C)C
InChIInChI=1S/C13H23NOS/c1-8-14-10(4)13(16-7)12(6)15-11(5)9(2)3/h8H2,1-7H3/b13-12+,14-10+
InChIKeyAYFUIMMOSMYBLV-GTDMLIFZSA-N
MW241.40 g/mol
LogP4.39
Rot. Bonds5

About (E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine

(E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine (PubChem CID 123168827) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is (E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine
PubChem CID123168827
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name(E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine
SMILESCC/N=C(C)/C(SC)=C(/C)OC(C)=C(C)C
InChIInChI=1S/C13H23NOS/c1-8-14-10(4)13(16-7)12(6)15-11(5)9(2)3/h8H2,1-7H3/b13-12+,14-10+
InChIKeyAYFUIMMOSMYBLV-GTDMLIFZSA-N
XLogP4.39
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine?
The IUPAC name of (E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine (CID 123168827) is (E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine.
What is the SMILES notation for (E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine?
The canonical SMILES for (E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine is CC/N=C(C)/C(SC)=C(/C)OC(C)=C(C)C.
What is the InChIKey of (E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine?
The InChIKey is AYFUIMMOSMYBLV-GTDMLIFZSA-N. The full InChI is InChI=1S/C13H23NOS/c1-8-14-10(4)13(16-7)12(6)15-11(5)9(2)3/h8H2,1-7H3/b13-12+,14-10+.
What are the key properties of (E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine?
(E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine has a molecular weight of 241.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-(3-methylbut-2-en-2-yloxy)-3-methylsulfanylpent-3-en-2-imine is sourced from PubChem (CID 123168827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).