2,6-dimethylcyclohexa-2,4-dien-1-imine

C8H11N — CID 66847916

IUPAC2,6-dimethylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1/C(C)=CC=CC1C
InChIInChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-6,9H,1-2H3/b9-8+
InChIKeyMPQXESNJAWOXQT-CMDGGOBGSA-N
MW121.18 g/mol
LogP2.16
Rot. Bonds

About 2,6-dimethylcyclohexa-2,4-dien-1-imine

2,6-dimethylcyclohexa-2,4-dien-1-imine (PubChem CID 66847916) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2,6-dimethylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name2,6-dimethylcyclohexa-2,4-dien-1-imine
PubChem CID66847916
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2,6-dimethylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1/C(C)=CC=CC1C
InChIInChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-6,9H,1-2H3/b9-8+
InChIKeyMPQXESNJAWOXQT-CMDGGOBGSA-N
XLogP2.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.16
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 2,6-dimethylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 2,6-dimethylcyclohexa-2,4-dien-1-imine (CID 66847916) is 2,6-dimethylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 2,6-dimethylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 2,6-dimethylcyclohexa-2,4-dien-1-imine is [H]/N=C1/C(C)=CC=CC1C.
What is the InChIKey of 2,6-dimethylcyclohexa-2,4-dien-1-imine?
The InChIKey is MPQXESNJAWOXQT-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-6,9H,1-2H3/b9-8+.
What are the key properties of 2,6-dimethylcyclohexa-2,4-dien-1-imine?
2,6-dimethylcyclohexa-2,4-dien-1-imine has a molecular weight of 121.18 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 66847916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).