(Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine

C19H29N — CID 129215166

IUPAC(Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine
SMILESC=C/C=C\C=C(C)\N=C(\C=C/C)C(=C/C)/CCC(C)C
InChIInChI=1S/C19H29N/c1-7-10-11-13-17(6)20-19(12-8-2)18(9-3)15-14-16(4)5/h7-13,16H,1,14-15H2,2-6H3/b11-10-,12-8-,17-13+,18-9+,20-19-
InChIKeyFQOAEUNANUTVMQ-IAJHTLINSA-N
MW271.45 g/mol
LogP6.03
Rot. Bonds8

About (Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine

(Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine (PubChem CID 129215166) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is (Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine.

Molecular Properties

Compound Name(Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine
PubChem CID129215166
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name(Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine
SMILESC=C/C=C\C=C(C)\N=C(\C=C/C)C(=C/C)/CCC(C)C
InChIInChI=1S/C19H29N/c1-7-10-11-13-17(6)20-19(12-8-2)18(9-3)15-14-16(4)5/h7-13,16H,1,14-15H2,2-6H3/b11-10-,12-8-,17-13+,18-9+,20-19-
InChIKeyFQOAEUNANUTVMQ-IAJHTLINSA-N
XLogP6.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 56.03
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 (Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-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 (Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine?
The IUPAC name of (Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine (CID 129215166) is (Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine.
What is the SMILES notation for (Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine?
The canonical SMILES for (Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine is C=C/C=C\C=C(C)\N=C(\C=C/C)C(=C/C)/CCC(C)C.
What is the InChIKey of (Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine?
The InChIKey is FQOAEUNANUTVMQ-IAJHTLINSA-N. The full InChI is InChI=1S/C19H29N/c1-7-10-11-13-17(6)20-19(12-8-2)18(9-3)15-14-16(4)5/h7-13,16H,1,14-15H2,2-6H3/b11-10-,12-8-,17-13+,18-9+,20-19-.
What are the key properties of (Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine?
(Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine has a molecular weight of 271.45 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5E)-5-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-8-methylnon-2-en-4-imine is sourced from PubChem (CID 129215166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).