1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine

C8H10N2 — CID 18730289

IUPAC1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine
SMILESCN=C1C=CC(=NC)C=C1
InChIInChI=1S/C8H10N2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3/b9-7-,10-8+
InChIKeyTWYRVPPRNLMENC-FKJILZIQSA-N
MW134.18 g/mol
LogP1.25
Rot. Bonds

About 1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine

1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine (PubChem CID 18730289) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine
PubChem CID18730289
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine
SMILESCN=C1C=CC(=NC)C=C1
InChIInChI=1S/C8H10N2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3/b9-7-,10-8+
InChIKeyTWYRVPPRNLMENC-FKJILZIQSA-N
XLogP1.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.25
H-Bond Donors ≤ 50
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 1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine?
The IUPAC name of 1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine (CID 18730289) is 1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine.
What is the SMILES notation for 1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine?
The canonical SMILES for 1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine is CN=C1C=CC(=NC)C=C1.
What is the InChIKey of 1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine?
The InChIKey is TWYRVPPRNLMENC-FKJILZIQSA-N. The full InChI is InChI=1S/C8H10N2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3/b9-7-,10-8+.
What are the key properties of 1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine?
1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine has a molecular weight of 134.18 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethylcyclohexa-2,5-diene-1,4-diimine is sourced from PubChem (CID 18730289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).