(Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine

C14H16N4 — CID 90447086

IUPAC(Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine
SMILES[H]/N=C(/C=C\C(=N\[H])C1=CC=CCN1)C1=CC=CCN1
InChIInChI=1S/C14H16N4/c15-11(13-5-1-3-9-17-13)7-8-12(16)14-6-2-4-10-18-14/h1-8,15-18H,9-10H2/b8-7-,15-11-,16-12-
InChIKeyHNSDSRJVZOJFGS-YZNRNGPMSA-N
MW240.31 g/mol
LogP1.67
Rot. Bonds4

About (Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine

(Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine (PubChem CID 90447086) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is (Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine
PubChem CID90447086
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name(Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine
SMILES[H]/N=C(/C=C\C(=N\[H])C1=CC=CCN1)C1=CC=CCN1
InChIInChI=1S/C14H16N4/c15-11(13-5-1-3-9-17-13)7-8-12(16)14-6-2-4-10-18-14/h1-8,15-18H,9-10H2/b8-7-,15-11-,16-12-
InChIKeyHNSDSRJVZOJFGS-YZNRNGPMSA-N
XLogP1.67
TPSA71.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine?
The IUPAC name of (Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine (CID 90447086) is (Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine?
The canonical SMILES for (Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine is [H]/N=C(/C=C\C(=N\[H])C1=CC=CCN1)C1=CC=CCN1.
What is the InChIKey of (Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine?
The InChIKey is HNSDSRJVZOJFGS-YZNRNGPMSA-N. The full InChI is InChI=1S/C14H16N4/c15-11(13-5-1-3-9-17-13)7-8-12(16)14-6-2-4-10-18-14/h1-8,15-18H,9-10H2/b8-7-,15-11-,16-12-.
What are the key properties of (Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine?
(Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine has a molecular weight of 240.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,4-bis(1,2-dihydropyridin-6-yl)but-2-ene-1,4-diimine is sourced from PubChem (CID 90447086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).