2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-diimine

C10H14N2 — CID 57128446

IUPAC2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-diimine
SMILES[H]N=C1C(C)=C(C)C(=N[H])C(C)=C1C
InChIInChI=1S/C10H14N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H,1-4H3/b11-9-,12-10+
InChIKeyXYDYLWRPSNUTKE-DSOJMZEYSA-N
MW162.24 g/mol
LogP2.71
Rot. Bonds

About 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-diimine

2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-diimine (PubChem CID 57128446) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-diimine
PubChem CID57128446
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-diimine
SMILES[H]N=C1C(C)=C(C)C(=N[H])C(C)=C1C
InChIInChI=1S/C10H14N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H,1-4H3/b11-9-,12-10+
InChIKeyXYDYLWRPSNUTKE-DSOJMZEYSA-N
XLogP2.71
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-diimine?
The IUPAC name of 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-diimine (CID 57128446) is 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-diimine.
What is the SMILES notation for 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-diimine?
The canonical SMILES for 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-diimine is [H]N=C1C(C)=C(C)C(=N[H])C(C)=C1C.
What is the InChIKey of 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-diimine?
The InChIKey is XYDYLWRPSNUTKE-DSOJMZEYSA-N. The full InChI is InChI=1S/C10H14N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H,1-4H3/b11-9-,12-10+.
What are the key properties of 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-diimine?
2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-diimine has a molecular weight of 162.24 g/mol, XLogP of 2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-diimine is sourced from PubChem (CID 57128446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).