5-ethyl-2-methoxy-N-methylcyclohexa-2,5-dien-1-imine

C10H15NO — CID 143182715

IUPAC5-ethyl-2-methoxy-N-methylcyclohexa-2,5-dien-1-imine
SMILESCCC1=C/C(=N\C)C(OC)=CC1
InChIInChI=1S/C10H15NO/c1-4-8-5-6-10(12-3)9(7-8)11-2/h6-7H,4-5H2,1-3H3/b11-9+
InChIKeyLJXBOVSSQAMHAW-PKNBQFBNSA-N
MW165.24 g/mol
LogP2.33
Rot. Bonds2

About 5-ethyl-2-methoxy-N-methylcyclohexa-2,5-dien-1-imine

5-ethyl-2-methoxy-N-methylcyclohexa-2,5-dien-1-imine (PubChem CID 143182715) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-N-methylcyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound Name5-ethyl-2-methoxy-N-methylcyclohexa-2,5-dien-1-imine
PubChem CID143182715
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-ethyl-2-methoxy-N-methylcyclohexa-2,5-dien-1-imine
SMILESCCC1=C/C(=N\C)C(OC)=CC1
InChIInChI=1S/C10H15NO/c1-4-8-5-6-10(12-3)9(7-8)11-2/h6-7H,4-5H2,1-3H3/b11-9+
InChIKeyLJXBOVSSQAMHAW-PKNBQFBNSA-N
XLogP2.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-3,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 23467541
(6Z)-6-[(Z)-but-2-enylidene]-2-methoxy-N-methylcyclohexa-2,4-dien-1-imine
CID 117685697
(E)-4-methoxy-N-methylhex-3-en-2-imine
CID 123311460
1-methoxy-N,4-dimethylpent-3-en-2-imine
CID 130234002
6-Ethenyl-5-methoxy-2,3-dihydropyridine
CID 140784052
CID 141767904
CID 141767904
(6Z)-2-methoxy-N-methyl-6-propylidenecyclohexa-2,4-dien-1-imine
CID 143158824
2-methoxy-N-methylcyclohexa-2,5-dien-1-imine
CID 143182598
(6E)-6-(1-methoxyethylidene)-N-methylcyclohexa-2,4-dien-1-imine
CID 163849462
CID 141767905
CID 141767905
(6Z)-6-ethylidene-2-methoxy-N,4-dimethylcyclohexa-2,4-dien-1-imine
CID 172358356

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-N-methylcyclohexa-2,5-dien-1-imine?
The IUPAC name of 5-ethyl-2-methoxy-N-methylcyclohexa-2,5-dien-1-imine (CID 143182715) is 5-ethyl-2-methoxy-N-methylcyclohexa-2,5-dien-1-imine.
What is the SMILES notation for 5-ethyl-2-methoxy-N-methylcyclohexa-2,5-dien-1-imine?
The canonical SMILES for 5-ethyl-2-methoxy-N-methylcyclohexa-2,5-dien-1-imine is CCC1=C/C(=N\C)C(OC)=CC1.
What is the InChIKey of 5-ethyl-2-methoxy-N-methylcyclohexa-2,5-dien-1-imine?
The InChIKey is LJXBOVSSQAMHAW-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-8-5-6-10(12-3)9(7-8)11-2/h6-7H,4-5H2,1-3H3/b11-9+.
What are the key properties of 5-ethyl-2-methoxy-N-methylcyclohexa-2,5-dien-1-imine?
5-ethyl-2-methoxy-N-methylcyclohexa-2,5-dien-1-imine has a molecular weight of 165.24 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-N-methylcyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 143182715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).