4-bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine

C8H10BrN — CID 21335501

IUPAC4-bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1/C=C(C)C(Br)=C(C)C1
InChIInChI=1S/C8H10BrN/c1-5-3-7(10)4-6(2)8(5)9/h3,10H,4H2,1-2H3/b10-7-
InChIKeyVVUSWOQFCGQNHS-YFHOEESVSA-N
MW200.08 g/mol
LogP3.03
Rot. Bonds

About 4-bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine

4-bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine (PubChem CID 21335501) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 4-bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name4-bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine
PubChem CID21335501
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name4-bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1/C=C(C)C(Br)=C(C)C1
InChIInChI=1S/C8H10BrN/c1-5-3-7(10)4-6(2)8(5)9/h3,10H,4H2,1-2H3/b10-7-
InChIKeyVVUSWOQFCGQNHS-YFHOEESVSA-N
XLogP3.03
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 53.03
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

(6Z)-3-bromo-5-fluoro-6-(3-methylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine
CID 134172239
2,4-Dimethylcyclohexa-2,4-dien-1-imine
CID 17812233
2,5-Dimethylcyclohexa-2,4-dien-1-imine
CID 23530554
2,6-Dibromo-4-methylcyclohexa-2,4-dien-1-imine
CID 67809443
6,6-Dibromo-4-methylcyclohexa-2,4-dien-1-imine
CID 70121017
4-Bromo-3,6-dimethylhepta-3,6-dien-2-imine
CID 123383814
(5Z)-6-bromo-2,5-dimethylocta-2,5-dien-4-imine
CID 123390438
(4Z)-6-bromo-3-methylidenehepta-4,6-dien-2-imine
CID 123474126
(2E)-3-bromo-5-methylcycloocta-2,4-dien-1-imine
CID 124005631
(6E)-3,4-dimethyl-6-propylidenecyclohexa-2,4-dien-1-imine
CID 139456051
(6E)-6-(1-bromopropylidene)-N-methylcyclohexa-2,4-dien-1-imine
CID 142308260
3-Bromo-6-ethylcyclohexa-3,5-diene-1,2-diimine
CID 142951895

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 4-bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine (CID 21335501) is 4-bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 4-bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 4-bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine is [H]/N=C1/C=C(C)C(Br)=C(C)C1.
What is the InChIKey of 4-bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine?
The InChIKey is VVUSWOQFCGQNHS-YFHOEESVSA-N. The full InChI is InChI=1S/C8H10BrN/c1-5-3-7(10)4-6(2)8(5)9/h3,10H,4H2,1-2H3/b10-7-.
What are the key properties of 4-bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine?
4-bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine has a molecular weight of 200.08 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 21335501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).