1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine

C12H18N2 — CID 22979280

IUPAC1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine
SMILESC/N=C1\C(C)=C(C)C(C)=C(C)\C1=N/C
InChIInChI=1S/C12H18N2/c1-7-8(2)10(4)12(14-6)11(13-5)9(7)3/h1-6H3/b13-11+,14-12+
InChIKeyVOINLPBASCPOSE-PHEQNACWSA-N
MW190.29 g/mol
LogP2.81
Rot. Bonds

About 1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine

1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine (PubChem CID 22979280) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine
PubChem CID22979280
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine
SMILESC/N=C1\C(C)=C(C)C(C)=C(C)\C1=N/C
InChIInChI=1S/C12H18N2/c1-7-8(2)10(4)12(14-6)11(13-5)9(7)3/h1-6H3/b13-11+,14-12+
InChIKeyVOINLPBASCPOSE-PHEQNACWSA-N
XLogP2.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.81
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 1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of 1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine (CID 22979280) is 1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for 1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for 1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine is C/N=C1\C(C)=C(C)C(C)=C(C)\C1=N/C.
What is the InChIKey of 1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine?
The InChIKey is VOINLPBASCPOSE-PHEQNACWSA-N. The full InChI is InChI=1S/C12H18N2/c1-7-8(2)10(4)12(14-6)11(13-5)9(7)3/h1-6H3/b13-11+,14-12+.
What are the key properties of 1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine?
1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine has a molecular weight of 190.29 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 22979280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).