5-ethylcyclohex-4-ene-1,3-diimine

C8H12N2 — CID 150111616

IUPAC5-ethylcyclohex-4-ene-1,3-diimine
SMILES[H]/N=C1\C=C(CC)C/C(=N/[H])C1
InChIInChI=1S/C8H12N2/c1-2-6-3-7(9)5-8(10)4-6/h3,9-10H,2,4-5H2,1H3/b9-7+,10-8-
InChIKeyDXJLFETWXVDMLH-ZWOQCJTASA-N
MW136.20 g/mol
LogP2.16
Rot. Bonds1

About 5-ethylcyclohex-4-ene-1,3-diimine

5-ethylcyclohex-4-ene-1,3-diimine (PubChem CID 150111616) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5-ethylcyclohex-4-ene-1,3-diimine.

Molecular Properties

Compound Name5-ethylcyclohex-4-ene-1,3-diimine
PubChem CID150111616
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5-ethylcyclohex-4-ene-1,3-diimine
SMILES[H]/N=C1\C=C(CC)C/C(=N/[H])C1
InChIInChI=1S/C8H12N2/c1-2-6-3-7(9)5-8(10)4-6/h3,9-10H,2,4-5H2,1H3/b9-7+,10-8-
InChIKeyDXJLFETWXVDMLH-ZWOQCJTASA-N
XLogP2.16
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethylcyclohex-4-ene-1,3-diimine?
The IUPAC name of 5-ethylcyclohex-4-ene-1,3-diimine (CID 150111616) is 5-ethylcyclohex-4-ene-1,3-diimine.
What is the SMILES notation for 5-ethylcyclohex-4-ene-1,3-diimine?
The canonical SMILES for 5-ethylcyclohex-4-ene-1,3-diimine is [H]/N=C1\C=C(CC)C/C(=N/[H])C1.
What is the InChIKey of 5-ethylcyclohex-4-ene-1,3-diimine?
The InChIKey is DXJLFETWXVDMLH-ZWOQCJTASA-N. The full InChI is InChI=1S/C8H12N2/c1-2-6-3-7(9)5-8(10)4-6/h3,9-10H,2,4-5H2,1H3/b9-7+,10-8-.
What are the key properties of 5-ethylcyclohex-4-ene-1,3-diimine?
5-ethylcyclohex-4-ene-1,3-diimine has a molecular weight of 136.20 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylcyclohex-4-ene-1,3-diimine is sourced from PubChem (CID 150111616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).