N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline

C17H16N2 — CID 5368838

IUPACN-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline
SMILESC(=C/C=N/c1ccccc1)\C=C\Nc1ccccc1
InChIInChI=1S/C17H16N2/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17/h1-15,18H/b9-3+,14-8+,19-15+
InChIKeyUDWRJSSBFBSTOO-GLBDIXCZSA-N
MW248.33 g/mol
LogP4.57
Rot. Bonds5

About N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline

N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline (PubChem CID 5368838) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline.

Molecular Properties

Compound NameN-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline
PubChem CID5368838
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC NameN-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline
SMILESC(=C/C=N/c1ccccc1)\C=C\Nc1ccccc1
InChIInChI=1S/C17H16N2/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17/h1-15,18H/b9-3+,14-8+,19-15+
InChIKeyUDWRJSSBFBSTOO-GLBDIXCZSA-N
XLogP4.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.57
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 N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline?
The IUPAC name of N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline (CID 5368838) is N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline.
What is the SMILES notation for N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline?
The canonical SMILES for N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline is C(=C/C=N/c1ccccc1)\C=C\Nc1ccccc1.
What is the InChIKey of N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline?
The InChIKey is UDWRJSSBFBSTOO-GLBDIXCZSA-N. The full InChI is InChI=1S/C17H16N2/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17/h1-15,18H/b9-3+,14-8+,19-15+.
What are the key properties of N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline?
N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline has a molecular weight of 248.33 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline is sourced from PubChem (CID 5368838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).