6-ethyl-5-methylcyclohexa-2,4-dien-1-imine

C9H13N — CID 141171183

IUPAC6-ethyl-5-methylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C(C)C1CC
InChIInChI=1S/C9H13N/c1-3-8-7(2)5-4-6-9(8)10/h4-6,8,10H,3H2,1-2H3/b10-9+
InChIKeyAYQUHGAIGKJMQI-MDZDMXLPSA-N
MW135.21 g/mol
LogP2.55
Rot. Bonds1

About 6-ethyl-5-methylcyclohexa-2,4-dien-1-imine

6-ethyl-5-methylcyclohexa-2,4-dien-1-imine (PubChem CID 141171183) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 6-ethyl-5-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-ethyl-5-methylcyclohexa-2,4-dien-1-imine
PubChem CID141171183
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name6-ethyl-5-methylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C(C)C1CC
InChIInChI=1S/C9H13N/c1-3-8-7(2)5-4-6-9(8)10/h4-6,8,10H,3H2,1-2H3/b10-9+
InChIKeyAYQUHGAIGKJMQI-MDZDMXLPSA-N
XLogP2.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
Toluquinone diimine
CID 57641797
1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
Dibenzocycloheptenimin
CID 129628903
(E)-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]but-3-en-2-imine
CID 89021973
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanimine
CID 118422299
(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
CID 123873008
4-Fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 134381223
4-Fluoro-6-methylcyclohexa-2,4-dien-1-imine
CID 137389633
1-(4-Fluorocyclohexa-2,4-dien-1-yl)butan-1-imine
CID 143588132
(2S)-2-(4-fluorocyclohexa-1,5-dien-1-yl)cyclopropan-1-imine
CID 163487206
(4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine
CID 174289820

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-ethyl-5-methylcyclohexa-2,4-dien-1-imine (CID 141171183) is 6-ethyl-5-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-ethyl-5-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-ethyl-5-methylcyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=C(C)C1CC.
What is the InChIKey of 6-ethyl-5-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is AYQUHGAIGKJMQI-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H13N/c1-3-8-7(2)5-4-6-9(8)10/h4-6,8,10H,3H2,1-2H3/b10-9+.
What are the key properties of 6-ethyl-5-methylcyclohexa-2,4-dien-1-imine?
6-ethyl-5-methylcyclohexa-2,4-dien-1-imine has a molecular weight of 135.21 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 141171183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).