2-N-ethylcyclohexa-3,5-diene-1,2-diimine

C8H10N2 — CID 142526082

IUPAC2-N-ethylcyclohexa-3,5-diene-1,2-diimine
SMILES[H]/N=C1\C=CC=C\C1=N/CC
InChIInChI=1S/C8H10N2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3/b9-7+,10-8+
InChIKeyHHIOOMQSEQXQQA-FIFLTTCUSA-N
MW134.18 g/mol
LogP1.59
Rot. Bonds1

About 2-N-ethylcyclohexa-3,5-diene-1,2-diimine

2-N-ethylcyclohexa-3,5-diene-1,2-diimine (PubChem CID 142526082) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-N-ethylcyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name2-N-ethylcyclohexa-3,5-diene-1,2-diimine
PubChem CID142526082
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-N-ethylcyclohexa-3,5-diene-1,2-diimine
SMILES[H]/N=C1\C=CC=C\C1=N/CC
InChIInChI=1S/C8H10N2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3/b9-7+,10-8+
InChIKeyHHIOOMQSEQXQQA-FIFLTTCUSA-N
XLogP1.59
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
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'}

Analyze 2-N-ethylcyclohexa-3,5-diene-1,2-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-ethylcyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of 2-N-ethylcyclohexa-3,5-diene-1,2-diimine (CID 142526082) is 2-N-ethylcyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for 2-N-ethylcyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for 2-N-ethylcyclohexa-3,5-diene-1,2-diimine is [H]/N=C1\C=CC=C\C1=N/CC.
What is the InChIKey of 2-N-ethylcyclohexa-3,5-diene-1,2-diimine?
The InChIKey is HHIOOMQSEQXQQA-FIFLTTCUSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3/b9-7+,10-8+.
What are the key properties of 2-N-ethylcyclohexa-3,5-diene-1,2-diimine?
2-N-ethylcyclohexa-3,5-diene-1,2-diimine has a molecular weight of 134.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethylcyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 142526082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).