(4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine

C15H21N — CID 123379230

IUPAC(4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine
SMILESC=CC(/C=C\CC)=N\C(\C=C\C)=C\C=CC
InChIInChI=1S/C15H21N/c1-5-9-12-14(8-4)16-15(11-7-3)13-10-6-2/h6-13H,4-5H2,1-3H3/b10-6?,11-7+,12-9-,15-13+,16-14+
InChIKeyZZEBZGDJEAXPPM-XBJOLQDISA-N
MW215.34 g/mol
LogP4.62
Rot. Bonds6

About (4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine

(4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine (PubChem CID 123379230) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine.

Molecular Properties

Compound Name(4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine
PubChem CID123379230
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine
SMILESC=CC(/C=C\CC)=N\C(\C=C\C)=C\C=CC
InChIInChI=1S/C15H21N/c1-5-9-12-14(8-4)16-15(11-7-3)13-10-6-2/h6-13H,4-5H2,1-3H3/b10-6?,11-7+,12-9-,15-13+,16-14+
InChIKeyZZEBZGDJEAXPPM-XBJOLQDISA-N
XLogP4.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.62
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 (4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-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 (4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine?
The IUPAC name of (4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine (CID 123379230) is (4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine.
What is the SMILES notation for (4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine?
The canonical SMILES for (4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine is C=CC(/C=C\CC)=N\C(\C=C\C)=C\C=CC.
What is the InChIKey of (4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine?
The InChIKey is ZZEBZGDJEAXPPM-XBJOLQDISA-N. The full InChI is InChI=1S/C15H21N/c1-5-9-12-14(8-4)16-15(11-7-3)13-10-6-2/h6-13H,4-5H2,1-3H3/b10-6?,11-7+,12-9-,15-13+,16-14+.
What are the key properties of (4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine?
(4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine has a molecular weight of 215.34 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine is sourced from PubChem (CID 123379230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).