1-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-4-methyl-2-methylidene-3-pyridinyl]-N-[(3Z)-penta-1,3-dien-2-yl]methanimine

C19H24N2 — CID 154931924

IUPAC1-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-4-methyl-2-methylidene-3-pyridinyl]-N-[(3Z)-penta-1,3-dien-2-yl]methanimine
SMILESC=C(/C=C\C)/N=C/C1=C(C)C(=C/C)/C(=C\C=C/C)NC1=C
InChIInChI=1S/C19H24N2/c1-7-10-12-19-17(9-3)15(5)18(16(6)21-19)13-20-14(4)11-8-2/h7-13,21H,4,6H2,1-3,5H3/b10-7-,11-8-,17-9-,19-12+,20-13+
InChIKeySHACDJSJTRNTPI-RYXMMPSPSA-N
MW280.41 g/mol
LogP4.99
Rot. Bonds4

About 1-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-4-methyl-2-methylidene-3-pyridinyl]-N-[(3Z)-penta-1,3-dien-2-yl]methanimine

1-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-4-methyl-2-methylidene-3-pyridinyl]-N-[(3Z)-penta-1,3-dien-2-yl]methanimine (PubChem CID 154931924) has the molecular formula C19H24N2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-4-methyl-2-methylidene-3-pyridinyl]-N-[(3Z)-penta-1,3-dien-2-yl]methanimine.

Molecular Properties

Compound Name1-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-4-methyl-2-methylidene-3-pyridinyl]-N-[(3Z)-penta-1,3-dien-2-yl]methanimine
PubChem CID154931924
Molecular FormulaC19H24N2
Molecular Weight280.41 g/mol
Exact Mass280.19
IUPAC Name1-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-4-methyl-2-methylidene-3-pyridinyl]-N-[(3Z)-penta-1,3-dien-2-yl]methanimine
SMILESC=C(/C=C\C)/N=C/C1=C(C)C(=C/C)/C(=C\C=C/C)NC1=C
InChIInChI=1S/C19H24N2/c1-7-10-12-19-17(9-3)15(5)18(16(6)21-19)13-20-14(4)11-8-2/h7-13,21H,4,6H2,1-3,5H3/b10-7-,11-8-,17-9-,19-12+,20-13+
InChIKeySHACDJSJTRNTPI-RYXMMPSPSA-N
XLogP4.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-4-methyl-2-methylidene-3-pyridinyl]-N-[(3Z)-penta-1,3-dien-2-yl]methanimine?
The IUPAC name of 1-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-4-methyl-2-methylidene-3-pyridinyl]-N-[(3Z)-penta-1,3-dien-2-yl]methanimine (CID 154931924) is 1-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-4-methyl-2-methylidene-3-pyridinyl]-N-[(3Z)-penta-1,3-dien-2-yl]methanimine.
What is the SMILES notation for 1-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-4-methyl-2-methylidene-3-pyridinyl]-N-[(3Z)-penta-1,3-dien-2-yl]methanimine?
The canonical SMILES for 1-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-4-methyl-2-methylidene-3-pyridinyl]-N-[(3Z)-penta-1,3-dien-2-yl]methanimine is C=C(/C=C\C)/N=C/C1=C(C)C(=C/C)/C(=C\C=C/C)NC1=C.
What is the InChIKey of 1-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-4-methyl-2-methylidene-3-pyridinyl]-N-[(3Z)-penta-1,3-dien-2-yl]methanimine?
The InChIKey is SHACDJSJTRNTPI-RYXMMPSPSA-N. The full InChI is InChI=1S/C19H24N2/c1-7-10-12-19-17(9-3)15(5)18(16(6)21-19)13-20-14(4)11-8-2/h7-13,21H,4,6H2,1-3,5H3/b10-7-,11-8-,17-9-,19-12+,20-13+.
What are the key properties of 1-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-4-methyl-2-methylidene-3-pyridinyl]-N-[(3Z)-penta-1,3-dien-2-yl]methanimine?
1-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-4-methyl-2-methylidene-3-pyridinyl]-N-[(3Z)-penta-1,3-dien-2-yl]methanimine has a molecular weight of 280.41 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-4-methyl-2-methylidene-3-pyridinyl]-N-[(3Z)-penta-1,3-dien-2-yl]methanimine is sourced from PubChem (CID 154931924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).