4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline

C18H16N4 — CID 10880735

IUPAC4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline
SMILESNc1ccc(N=C2C=CC(=Nc3ccc(N)cc3)C=C2)cc1
InChIInChI=1S/C18H16N4/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12H,19-20H2/b21-17-,22-18+
InChIKeyNHEFDVPCWHJMGK-QGFZOGOGSA-N
MW288.35 g/mol
LogP3.82
Rot. Bonds2

About 4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline

4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline (PubChem CID 10880735) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline.

Molecular Properties

Compound Name4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline
PubChem CID10880735
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline
SMILESNc1ccc(N=C2C=CC(=Nc3ccc(N)cc3)C=C2)cc1
InChIInChI=1S/C18H16N4/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12H,19-20H2/b21-17-,22-18+
InChIKeyNHEFDVPCWHJMGK-QGFZOGOGSA-N
XLogP3.82
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline?
The IUPAC name of 4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline (CID 10880735) is 4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline.
What is the SMILES notation for 4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline?
The canonical SMILES for 4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline is Nc1ccc(N=C2C=CC(=Nc3ccc(N)cc3)C=C2)cc1.
What is the InChIKey of 4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline?
The InChIKey is NHEFDVPCWHJMGK-QGFZOGOGSA-N. The full InChI is InChI=1S/C18H16N4/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12H,19-20H2/b21-17-,22-18+.
What are the key properties of 4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline?
4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline has a molecular weight of 288.35 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-aminophenyl)iminocyclohexa-2,5-dien-1-ylidene]amino]aniline is sourced from PubChem (CID 10880735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).