(4Z,6Z)-2-N-ethenyl-3-N-ethylocta-4,6-diene-2,3-diimine

C12H18N2 — CID 130252666

IUPAC(4Z,6Z)-2-N-ethenyl-3-N-ethylocta-4,6-diene-2,3-diimine
SMILESC=C/N=C(C)/C(/C=C\C=C/C)=N\CC
InChIInChI=1S/C12H18N2/c1-5-8-9-10-12(14-7-3)11(4)13-6-2/h5-6,8-10H,2,7H2,1,3-4H3/b8-5-,10-9-,13-11+,14-12-
InChIKeyRESWGUQHXYLZLZ-OCZWZGIVSA-N
MW190.29 g/mol
LogP3.18
Rot. Bonds5

About (4Z,6Z)-2-N-ethenyl-3-N-ethylocta-4,6-diene-2,3-diimine

(4Z,6Z)-2-N-ethenyl-3-N-ethylocta-4,6-diene-2,3-diimine (PubChem CID 130252666) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (4Z,6Z)-2-N-ethenyl-3-N-ethylocta-4,6-diene-2,3-diimine.

Molecular Properties

Compound Name(4Z,6Z)-2-N-ethenyl-3-N-ethylocta-4,6-diene-2,3-diimine
PubChem CID130252666
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(4Z,6Z)-2-N-ethenyl-3-N-ethylocta-4,6-diene-2,3-diimine
SMILESC=C/N=C(C)/C(/C=C\C=C/C)=N\CC
InChIInChI=1S/C12H18N2/c1-5-8-9-10-12(14-7-3)11(4)13-6-2/h5-6,8-10H,2,7H2,1,3-4H3/b8-5-,10-9-,13-11+,14-12-
InChIKeyRESWGUQHXYLZLZ-OCZWZGIVSA-N
XLogP3.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-2-N-ethenyl-3-N-ethylocta-4,6-diene-2,3-diimine?
The IUPAC name of (4Z,6Z)-2-N-ethenyl-3-N-ethylocta-4,6-diene-2,3-diimine (CID 130252666) is (4Z,6Z)-2-N-ethenyl-3-N-ethylocta-4,6-diene-2,3-diimine.
What is the SMILES notation for (4Z,6Z)-2-N-ethenyl-3-N-ethylocta-4,6-diene-2,3-diimine?
The canonical SMILES for (4Z,6Z)-2-N-ethenyl-3-N-ethylocta-4,6-diene-2,3-diimine is C=C/N=C(C)/C(/C=C\C=C/C)=N\CC.
What is the InChIKey of (4Z,6Z)-2-N-ethenyl-3-N-ethylocta-4,6-diene-2,3-diimine?
The InChIKey is RESWGUQHXYLZLZ-OCZWZGIVSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-8-9-10-12(14-7-3)11(4)13-6-2/h5-6,8-10H,2,7H2,1,3-4H3/b8-5-,10-9-,13-11+,14-12-.
What are the key properties of (4Z,6Z)-2-N-ethenyl-3-N-ethylocta-4,6-diene-2,3-diimine?
(4Z,6Z)-2-N-ethenyl-3-N-ethylocta-4,6-diene-2,3-diimine has a molecular weight of 190.29 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-2-N-ethenyl-3-N-ethylocta-4,6-diene-2,3-diimine is sourced from PubChem (CID 130252666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).