(2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine

C14H20N2 — CID 138657567

IUPAC(2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine
SMILESC/C=C\N=C(/C=C\C)C(/C=C\C)=N\C=C/C
InChIInChI=1S/C14H20N2/c1-5-9-13(15-11-7-3)14(10-6-2)16-12-8-4/h5-12H,1-4H3/b9-5-,10-6-,11-7-,12-8-,15-13+,16-14+
InChIKeyDLSCCLLVHJSEBL-VHVPOKRLSA-N
MW216.33 g/mol
LogP4.09
Rot. Bonds5

About (2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine

(2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine (PubChem CID 138657567) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine.

Molecular Properties

Compound Name(2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine
PubChem CID138657567
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine
SMILESC/C=C\N=C(/C=C\C)C(/C=C\C)=N\C=C/C
InChIInChI=1S/C14H20N2/c1-5-9-13(15-11-7-3)14(10-6-2)16-12-8-4/h5-12H,1-4H3/b9-5-,10-6-,11-7-,12-8-,15-13+,16-14+
InChIKeyDLSCCLLVHJSEBL-VHVPOKRLSA-N
XLogP4.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.09
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'}

Analyze (2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine?
The IUPAC name of (2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine (CID 138657567) is (2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine.
What is the SMILES notation for (2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine?
The canonical SMILES for (2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine is C/C=C\N=C(/C=C\C)C(/C=C\C)=N\C=C/C.
What is the InChIKey of (2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine?
The InChIKey is DLSCCLLVHJSEBL-VHVPOKRLSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-9-13(15-11-7-3)14(10-6-2)16-12-8-4/h5-12H,1-4H3/b9-5-,10-6-,11-7-,12-8-,15-13+,16-14+.
What are the key properties of (2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine?
(2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine has a molecular weight of 216.33 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-4-N,5-N-bis[(Z)-prop-1-enyl]octa-2,6-diene-4,5-diimine is sourced from PubChem (CID 138657567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).