(2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine

C13H19N — CID 89159404

IUPAC(2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine
SMILESC/C=C\N=C(\C=C/C)C(/C=C\C)=C\C
InChIInChI=1S/C13H19N/c1-5-9-12(8-4)13(10-6-2)14-11-7-3/h5-11H,1-4H3/b9-5-,10-6-,11-7-,12-8-,14-13-
InChIKeyQVTMYPZDPWJNEM-KPMQMMNNSA-N
MW189.30 g/mol
LogP4.06
Rot. Bonds4

About (2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine

(2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine (PubChem CID 89159404) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine.

Molecular Properties

Compound Name(2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine
PubChem CID89159404
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine
SMILESC/C=C\N=C(\C=C/C)C(/C=C\C)=C\C
InChIInChI=1S/C13H19N/c1-5-9-12(8-4)13(10-6-2)14-11-7-3/h5-11H,1-4H3/b9-5-,10-6-,11-7-,12-8-,14-13-
InChIKeyQVTMYPZDPWJNEM-KPMQMMNNSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine 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,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine?
The IUPAC name of (2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine (CID 89159404) is (2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine.
What is the SMILES notation for (2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine?
The canonical SMILES for (2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine is C/C=C\N=C(\C=C/C)C(/C=C\C)=C\C.
What is the InChIKey of (2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine?
The InChIKey is QVTMYPZDPWJNEM-KPMQMMNNSA-N. The full InChI is InChI=1S/C13H19N/c1-5-9-12(8-4)13(10-6-2)14-11-7-3/h5-11H,1-4H3/b9-5-,10-6-,11-7-,12-8-,14-13-.
What are the key properties of (2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine?
(2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine has a molecular weight of 189.30 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z,6Z)-5-ethylidene-N-[(Z)-prop-1-enyl]octa-2,6-dien-4-imine is sourced from PubChem (CID 89159404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).