3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine

C8H8Br2N2 — CID 59207615

IUPAC3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
SMILESC/N=C1\C(Br)=CC=C(Br)\C1=N/C
InChIInChI=1S/C8H8Br2N2/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-4H,1-2H3/b11-7+,12-8+
InChIKeyOQADBPDKCKEGBP-MKICQXMISA-N
MW291.97 g/mol
LogP2.70
Rot. Bonds

About 3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine

3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine (PubChem CID 59207615) has the molecular formula C8H8Br2N2 and a molecular weight of 291.97 g/mol. Its IUPAC name is 3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
PubChem CID59207615
Molecular FormulaC8H8Br2N2
Molecular Weight291.97 g/mol
Exact Mass289.91
IUPAC Name3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
SMILESC/N=C1\C(Br)=CC=C(Br)\C1=N/C
InChIInChI=1S/C8H8Br2N2/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-4H,1-2H3/b11-7+,12-8+
InChIKeyOQADBPDKCKEGBP-MKICQXMISA-N
XLogP2.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.97
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of 3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine (CID 59207615) is 3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for 3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for 3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine is C/N=C1\C(Br)=CC=C(Br)\C1=N/C.
What is the InChIKey of 3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine?
The InChIKey is OQADBPDKCKEGBP-MKICQXMISA-N. The full InChI is InChI=1S/C8H8Br2N2/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-4H,1-2H3/b11-7+,12-8+.
What are the key properties of 3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine?
3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine has a molecular weight of 291.97 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 59207615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).