(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'}

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Related Compounds

1-(4-fluoro-3-methoxycyclohexa-1,3-dien-1-yl)-N-(2-methylpropyl)ethanimine
CID 169112947
5-methoxy-2H-indole
CID 67835448
1-(5-methoxy-2-methylcyclohepta-1,3,5-trien-1-yl)-N-methylethanimine
CID 91218426
N-(3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 122576383
(4E)-4,6-dimethoxy-N-methylhepta-4,6-dien-2-imine
CID 123362331
(6Z)-3,4-dimethoxy-N-methyl-6-[1-(methylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine
CID 134313135
(4E)-6-ethoxy-N-ethyl-5-methyl-3-methylidenehepta-4,6-dien-2-imine
CID 134385499
(6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine
CID 142275833
(6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine
CID 144576333
N-ethyl-3,4-dimethoxy-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 144576337
5-methoxy-2H-3,1-benzoxazine
CID 149878971
(6E)-6-(1-chloroethylidene)-3,4-dimethoxy-N-methylcyclohexa-2,4-dien-1-imine
CID 155136201

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).