(6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine

C14H19NO2 — CID 176978983

IUPAC(6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine
SMILESC=C(C)/C(C)=C1\C=C(OC)C(OC)=C\C1=N/C
InChIInChI=1S/C14H19NO2/c1-9(2)10(3)11-7-13(16-5)14(17-6)8-12(11)15-4/h7-8H,1H2,2-6H3/b11-10+,15-12+
InChIKeyOOWQQQGXRQSRHU-GCHFJXRNSA-N
MW233.31 g/mol
LogP3.02
Rot. Bonds3

About (6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine

(6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine (PubChem CID 176978983) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine
PubChem CID176978983
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine
SMILESC=C(C)/C(C)=C1\C=C(OC)C(OC)=C\C1=N/C
InChIInChI=1S/C14H19NO2/c1-9(2)10(3)11-7-13(16-5)14(17-6)8-12(11)15-4/h7-8H,1H2,2-6H3/b11-10+,15-12+
InChIKeyOOWQQQGXRQSRHU-GCHFJXRNSA-N
XLogP3.02
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-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 (6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine (CID 176978983) is (6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine is C=C(C)/C(C)=C1\C=C(OC)C(OC)=C\C1=N/C.
What is the InChIKey of (6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine?
The InChIKey is OOWQQQGXRQSRHU-GCHFJXRNSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)10(3)11-7-13(16-5)14(17-6)8-12(11)15-4/h7-8H,1H2,2-6H3/b11-10+,15-12+.
What are the key properties of (6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine?
(6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine has a molecular weight of 233.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3,4-dimethoxy-N-methyl-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 176978983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).