N-[(E)-[3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline

C20H20N2 — CID 5366996

IUPACN-[(E)-[3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline
SMILESC1=C(/C=N/c2ccccc2)CCC/C1=C\Nc1ccccc1
InChIInChI=1S/C20H20N2/c1-3-10-19(11-4-1)21-15-17-8-7-9-18(14-17)16-22-20-12-5-2-6-13-20/h1-6,10-16,21H,7-9H2/b17-15+,22-16+
InChIKeyRQUAIAHNDJZGOR-TWNGPSNKSA-N
MW288.39 g/mol
LogP5.50
Rot. Bonds4

About N-[(E)-[3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline

N-[(E)-[3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline (PubChem CID 5366996) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(E)-[3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline.

Molecular Properties

Compound NameN-[(E)-[3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline
PubChem CID5366996
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC NameN-[(E)-[3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline
SMILESC1=C(/C=N/c2ccccc2)CCC/C1=C\Nc1ccccc1
InChIInChI=1S/C20H20N2/c1-3-10-19(11-4-1)21-15-17-8-7-9-18(14-17)16-22-20-12-5-2-6-13-20/h1-6,10-16,21H,7-9H2/b17-15+,22-16+
InChIKeyRQUAIAHNDJZGOR-TWNGPSNKSA-N
XLogP5.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline?
The IUPAC name of N-[(E)-[3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline (CID 5366996) is N-[(E)-[3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline.
What is the SMILES notation for N-[(E)-[3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline?
The canonical SMILES for N-[(E)-[3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline is C1=C(/C=N/c2ccccc2)CCC/C1=C\Nc1ccccc1.
What is the InChIKey of N-[(E)-[3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline?
The InChIKey is RQUAIAHNDJZGOR-TWNGPSNKSA-N. The full InChI is InChI=1S/C20H20N2/c1-3-10-19(11-4-1)21-15-17-8-7-9-18(14-17)16-22-20-12-5-2-6-13-20/h1-6,10-16,21H,7-9H2/b17-15+,22-16+.
What are the key properties of N-[(E)-[3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline?
N-[(E)-[3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline has a molecular weight of 288.39 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline is sourced from PubChem (CID 5366996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).