4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline

C18H18N2 — CID 142259487

IUPAC4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline
SMILESC=CC(=C)c1ccc(/C=C\c2ccc(NC)cc2)cn1
InChIInChI=1S/C18H18N2/c1-4-14(2)18-12-9-16(13-20-18)6-5-15-7-10-17(19-3)11-8-15/h4-13,19H,1-2H2,3H3/b6-5-
InChIKeyGYTFGNSGZFFCFW-WAYWQWQTSA-N
MW262.36 g/mol
LogP4.49
Rot. Bonds5

About 4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline

4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline (PubChem CID 142259487) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline
PubChem CID142259487
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline
SMILESC=CC(=C)c1ccc(/C=C\c2ccc(NC)cc2)cn1
InChIInChI=1S/C18H18N2/c1-4-14(2)18-12-9-16(13-20-18)6-5-15-7-10-17(19-3)11-8-15/h4-13,19H,1-2H2,3H3/b6-5-
InChIKeyGYTFGNSGZFFCFW-WAYWQWQTSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline?
The IUPAC name of 4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline (CID 142259487) is 4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline is C=CC(=C)c1ccc(/C=C\c2ccc(NC)cc2)cn1.
What is the InChIKey of 4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline?
The InChIKey is GYTFGNSGZFFCFW-WAYWQWQTSA-N. The full InChI is InChI=1S/C18H18N2/c1-4-14(2)18-12-9-16(13-20-18)6-5-15-7-10-17(19-3)11-8-15/h4-13,19H,1-2H2,3H3/b6-5-.
What are the key properties of 4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline?
4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline has a molecular weight of 262.36 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(6-buta-1,3-dien-2-yl-3-pyridinyl)ethenyl]-N-methylaniline is sourced from PubChem (CID 142259487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).