(2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-imine

C25H37N — CID 166905484

IUPAC(2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-imine
SMILESC#C/C=C\C(C)=C(/CC)C(C)(C)C(C)(C)/N=C/C(/C=C\C=C/C)=C/CC
InChIInChI=1S/C25H37N/c1-10-14-16-19-22(17-12-3)20-26-25(8,9)24(6,7)23(13-4)21(5)18-15-11-2/h2,10,14-20H,12-13H2,1,3-9H3/b14-10-,18-15-,19-16-,22-17+,23-21+,26-20+
InChIKeyZXRRRHMQBHEJTB-TUMBOHIMSA-N
MW351.58 g/mol
LogP7.25
Rot. Bonds9

About (2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-imine

(2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-imine (PubChem CID 166905484) has the molecular formula C25H37N and a molecular weight of 351.58 g/mol. Its IUPAC name is (2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-imine.

Molecular Properties

Compound Name(2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-imine
PubChem CID166905484
Molecular FormulaC25H37N
Molecular Weight351.58 g/mol
Exact Mass351.29
IUPAC Name(2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-imine
SMILESC#C/C=C\C(C)=C(/CC)C(C)(C)C(C)(C)/N=C/C(/C=C\C=C/C)=C/CC
InChIInChI=1S/C25H37N/c1-10-14-16-19-22(17-12-3)20-26-25(8,9)24(6,7)23(13-4)21(5)18-15-11-2/h2,10,14-20H,12-13H2,1,3-9H3/b14-10-,18-15-,19-16-,22-17+,23-21+,26-20+
InChIKeyZXRRRHMQBHEJTB-TUMBOHIMSA-N
XLogP7.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 57.25
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-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 (2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-imine?
The IUPAC name of (2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-imine (CID 166905484) is (2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-imine.
What is the SMILES notation for (2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-imine?
The canonical SMILES for (2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-imine is C#C/C=C\C(C)=C(/CC)C(C)(C)C(C)(C)/N=C/C(/C=C\C=C/C)=C/CC.
What is the InChIKey of (2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-imine?
The InChIKey is ZXRRRHMQBHEJTB-TUMBOHIMSA-N. The full InChI is InChI=1S/C25H37N/c1-10-14-16-19-22(17-12-3)20-26-25(8,9)24(6,7)23(13-4)21(5)18-15-11-2/h2,10,14-20H,12-13H2,1,3-9H3/b14-10-,18-15-,19-16-,22-17+,23-21+,26-20+.
What are the key properties of (2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-imine?
(2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-imine has a molecular weight of 351.58 g/mol, XLogP of 7.25, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z,5Z)-N-[(4E,6Z)-4-ethyl-2,3,3,5-tetramethylnona-4,6-dien-8-yn-2-yl]-2-propylidenehepta-3,5-dien-1-imine is sourced from PubChem (CID 166905484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).