2-N-ethylcyclohex-3-ene-1,2-diimine

C8H12N2 — CID 123566482

IUPAC2-N-ethylcyclohex-3-ene-1,2-diimine
SMILES[H]/N=C1\CCC=C\C1=N/CC
InChIInChI=1S/C8H12N2/c1-2-10-8-6-4-3-5-7(8)9/h4,6,9H,2-3,5H2,1H3/b9-7+,10-8+
InChIKeyKWHCYKAOAQEDSP-FIFLTTCUSA-N
MW136.20 g/mol
LogP1.82
Rot. Bonds1

About 2-N-ethylcyclohex-3-ene-1,2-diimine

2-N-ethylcyclohex-3-ene-1,2-diimine (PubChem CID 123566482) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-N-ethylcyclohex-3-ene-1,2-diimine.

Molecular Properties

Compound Name2-N-ethylcyclohex-3-ene-1,2-diimine
PubChem CID123566482
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-N-ethylcyclohex-3-ene-1,2-diimine
SMILES[H]/N=C1\CCC=C\C1=N/CC
InChIInChI=1S/C8H12N2/c1-2-10-8-6-4-3-5-7(8)9/h4,6,9H,2-3,5H2,1H3/b9-7+,10-8+
InChIKeyKWHCYKAOAQEDSP-FIFLTTCUSA-N
XLogP1.82
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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6-Ethyl-2,3-dihydropyridine
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Cyclohex-4-ene-1,3-diimine
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CID 135031019
4-N-methylcyclohex-2-ene-1,4-diimine
CID 20673085
N-methylcyclohex-2-en-1-imine
CID 20718417
N-methylcyclohex-3-en-1-imine
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Frequently Asked Questions

What is the IUPAC name of 2-N-ethylcyclohex-3-ene-1,2-diimine?
The IUPAC name of 2-N-ethylcyclohex-3-ene-1,2-diimine (CID 123566482) is 2-N-ethylcyclohex-3-ene-1,2-diimine.
What is the SMILES notation for 2-N-ethylcyclohex-3-ene-1,2-diimine?
The canonical SMILES for 2-N-ethylcyclohex-3-ene-1,2-diimine is [H]/N=C1\CCC=C\C1=N/CC.
What is the InChIKey of 2-N-ethylcyclohex-3-ene-1,2-diimine?
The InChIKey is KWHCYKAOAQEDSP-FIFLTTCUSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-10-8-6-4-3-5-7(8)9/h4,6,9H,2-3,5H2,1H3/b9-7+,10-8+.
What are the key properties of 2-N-ethylcyclohex-3-ene-1,2-diimine?
2-N-ethylcyclohex-3-ene-1,2-diimine has a molecular weight of 136.20 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethylcyclohex-3-ene-1,2-diimine is sourced from PubChem (CID 123566482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).