(E,2E)-4-methyl-N-[(2Z,4Z)-octa-2,4-dienyl]-2-propylidenehex-3-en-1-imine

C18H29N — CID 146233876

IUPAC(E,2E)-4-methyl-N-[(2Z,4Z)-octa-2,4-dienyl]-2-propylidenehex-3-en-1-imine
SMILESCC/C=C(/C=N/C/C=C\C=C/CCC)\C=C(/C)CC
InChIInChI=1S/C18H29N/c1-5-8-9-10-11-12-14-19-16-18(13-6-2)15-17(4)7-3/h9-13,15-16H,5-8,14H2,1-4H3/b10-9-,12-11-,17-15+,18-13+,19-16+
InChIKeyOCFKPWCXMAUZGD-IXLGSTFASA-N
MW259.44 g/mol
LogP5.66
Rot. Bonds9

About (E,2E)-4-methyl-N-[(2Z,4Z)-octa-2,4-dienyl]-2-propylidenehex-3-en-1-imine

(E,2E)-4-methyl-N-[(2Z,4Z)-octa-2,4-dienyl]-2-propylidenehex-3-en-1-imine (PubChem CID 146233876) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (E,2E)-4-methyl-N-[(2Z,4Z)-octa-2,4-dienyl]-2-propylidenehex-3-en-1-imine.

Molecular Properties

Compound Name(E,2E)-4-methyl-N-[(2Z,4Z)-octa-2,4-dienyl]-2-propylidenehex-3-en-1-imine
PubChem CID146233876
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(E,2E)-4-methyl-N-[(2Z,4Z)-octa-2,4-dienyl]-2-propylidenehex-3-en-1-imine
SMILESCC/C=C(/C=N/C/C=C\C=C/CCC)\C=C(/C)CC
InChIInChI=1S/C18H29N/c1-5-8-9-10-11-12-14-19-16-18(13-6-2)15-17(4)7-3/h9-13,15-16H,5-8,14H2,1-4H3/b10-9-,12-11-,17-15+,18-13+,19-16+
InChIKeyOCFKPWCXMAUZGD-IXLGSTFASA-N
XLogP5.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.66
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'}

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Frequently Asked Questions

What is the IUPAC name of (E,2E)-4-methyl-N-[(2Z,4Z)-octa-2,4-dienyl]-2-propylidenehex-3-en-1-imine?
The IUPAC name of (E,2E)-4-methyl-N-[(2Z,4Z)-octa-2,4-dienyl]-2-propylidenehex-3-en-1-imine (CID 146233876) is (E,2E)-4-methyl-N-[(2Z,4Z)-octa-2,4-dienyl]-2-propylidenehex-3-en-1-imine.
What is the SMILES notation for (E,2E)-4-methyl-N-[(2Z,4Z)-octa-2,4-dienyl]-2-propylidenehex-3-en-1-imine?
The canonical SMILES for (E,2E)-4-methyl-N-[(2Z,4Z)-octa-2,4-dienyl]-2-propylidenehex-3-en-1-imine is CC/C=C(/C=N/C/C=C\C=C/CCC)\C=C(/C)CC.
What is the InChIKey of (E,2E)-4-methyl-N-[(2Z,4Z)-octa-2,4-dienyl]-2-propylidenehex-3-en-1-imine?
The InChIKey is OCFKPWCXMAUZGD-IXLGSTFASA-N. The full InChI is InChI=1S/C18H29N/c1-5-8-9-10-11-12-14-19-16-18(13-6-2)15-17(4)7-3/h9-13,15-16H,5-8,14H2,1-4H3/b10-9-,12-11-,17-15+,18-13+,19-16+.
What are the key properties of (E,2E)-4-methyl-N-[(2Z,4Z)-octa-2,4-dienyl]-2-propylidenehex-3-en-1-imine?
(E,2E)-4-methyl-N-[(2Z,4Z)-octa-2,4-dienyl]-2-propylidenehex-3-en-1-imine has a molecular weight of 259.44 g/mol, XLogP of 5.66, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-4-methyl-N-[(2Z,4Z)-octa-2,4-dienyl]-2-propylidenehex-3-en-1-imine is sourced from PubChem (CID 146233876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).