(2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine

C11H16N2 — CID 134334691

IUPAC(2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine
SMILESC=CC(/C=N/C)=C(\C=C/C)/N=C/C
InChIInChI=1S/C11H16N2/c1-5-8-11(13-7-3)10(6-2)9-12-4/h5-9H,2H2,1,3-4H3/b8-5-,11-10-,12-9+,13-7+
InChIKeyAJLPATMVSZMWQR-CRRCWBTHSA-N
MW176.26 g/mol
LogP2.79
Rot. Bonds4

About (2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine

(2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine (PubChem CID 134334691) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine.

Molecular Properties

Compound Name(2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine
PubChem CID134334691
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine
SMILESC=CC(/C=N/C)=C(\C=C/C)/N=C/C
InChIInChI=1S/C11H16N2/c1-5-8-11(13-7-3)10(6-2)9-12-4/h5-9H,2H2,1,3-4H3/b8-5-,11-10-,12-9+,13-7+
InChIKeyAJLPATMVSZMWQR-CRRCWBTHSA-N
XLogP2.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine?
The IUPAC name of (2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine (CID 134334691) is (2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine.
What is the SMILES notation for (2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine?
The canonical SMILES for (2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine is C=CC(/C=N/C)=C(\C=C/C)/N=C/C.
What is the InChIKey of (2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine?
The InChIKey is AJLPATMVSZMWQR-CRRCWBTHSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-8-11(13-7-3)10(6-2)9-12-4/h5-9H,2H2,1,3-4H3/b8-5-,11-10-,12-9+,13-7+.
What are the key properties of (2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine?
(2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine has a molecular weight of 176.26 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine is sourced from PubChem (CID 134334691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).