4-methyl-N-[(1E,3E)-5-(4-methylphenyl)iminopenta-1,3-dienyl]aniline

C19H20N2 — CID 15047319

IUPAC4-methyl-N-[(1E,3E)-5-(4-methylphenyl)iminopenta-1,3-dienyl]aniline
SMILESCc1ccc(/N=C/C=C/C=C/Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H20N2/c1-16-6-10-18(11-7-16)20-14-4-3-5-15-21-19-12-8-17(2)9-13-19/h3-15,20H,1-2H3/b5-3+,14-4+,21-15+
InChIKeyRPCWKNRDTUHKRC-WBAJKMBDSA-N
MW276.38 g/mol
LogP5.19
Rot. Bonds5

About 4-methyl-N-[(1E,3E)-5-(4-methylphenyl)iminopenta-1,3-dienyl]aniline

4-methyl-N-[(1E,3E)-5-(4-methylphenyl)iminopenta-1,3-dienyl]aniline (PubChem CID 15047319) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methyl-N-[(1E,3E)-5-(4-methylphenyl)iminopenta-1,3-dienyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(1E,3E)-5-(4-methylphenyl)iminopenta-1,3-dienyl]aniline
PubChem CID15047319
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name4-methyl-N-[(1E,3E)-5-(4-methylphenyl)iminopenta-1,3-dienyl]aniline
SMILESCc1ccc(/N=C/C=C/C=C/Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H20N2/c1-16-6-10-18(11-7-16)20-14-4-3-5-15-21-19-12-8-17(2)9-13-19/h3-15,20H,1-2H3/b5-3+,14-4+,21-15+
InChIKeyRPCWKNRDTUHKRC-WBAJKMBDSA-N
XLogP5.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.19
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 4-methyl-N-[(1E,3E)-5-(4-methylphenyl)iminopenta-1,3-dienyl]aniline?
The IUPAC name of 4-methyl-N-[(1E,3E)-5-(4-methylphenyl)iminopenta-1,3-dienyl]aniline (CID 15047319) is 4-methyl-N-[(1E,3E)-5-(4-methylphenyl)iminopenta-1,3-dienyl]aniline.
What is the SMILES notation for 4-methyl-N-[(1E,3E)-5-(4-methylphenyl)iminopenta-1,3-dienyl]aniline?
The canonical SMILES for 4-methyl-N-[(1E,3E)-5-(4-methylphenyl)iminopenta-1,3-dienyl]aniline is Cc1ccc(/N=C/C=C/C=C/Nc2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(1E,3E)-5-(4-methylphenyl)iminopenta-1,3-dienyl]aniline?
The InChIKey is RPCWKNRDTUHKRC-WBAJKMBDSA-N. The full InChI is InChI=1S/C19H20N2/c1-16-6-10-18(11-7-16)20-14-4-3-5-15-21-19-12-8-17(2)9-13-19/h3-15,20H,1-2H3/b5-3+,14-4+,21-15+.
What are the key properties of 4-methyl-N-[(1E,3E)-5-(4-methylphenyl)iminopenta-1,3-dienyl]aniline?
4-methyl-N-[(1E,3E)-5-(4-methylphenyl)iminopenta-1,3-dienyl]aniline has a molecular weight of 276.38 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1E,3E)-5-(4-methylphenyl)iminopenta-1,3-dienyl]aniline is sourced from PubChem (CID 15047319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).