(E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine

C18H18N2 — CID 19368603

IUPAC(E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine
SMILESC=CCc1ccc(/C=N/N=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N2/c1-3-4-16-9-11-18(12-10-16)14-20-19-13-17-7-5-15(2)6-8-17/h3,5-14H,1,4H2,2H3/b19-13+,20-14+
InChIKeyHPJMXZLWKPZYKE-IWGRKNQJSA-N
MW262.36 g/mol
LogP4.18
Rot. Bonds5

About (E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine

(E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine (PubChem CID 19368603) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is (E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine
PubChem CID19368603
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name(E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine
SMILESC=CCc1ccc(/C=N/N=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N2/c1-3-4-16-9-11-18(12-10-16)14-20-19-13-17-7-5-15(2)6-8-17/h3,5-14H,1,4H2,2H3/b19-13+,20-14+
InChIKeyHPJMXZLWKPZYKE-IWGRKNQJSA-N
XLogP4.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine?
The IUPAC name of (E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine (CID 19368603) is (E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine?
The canonical SMILES for (E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine is C=CCc1ccc(/C=N/N=C/c2ccc(C)cc2)cc1.
What is the InChIKey of (E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine?
The InChIKey is HPJMXZLWKPZYKE-IWGRKNQJSA-N. The full InChI is InChI=1S/C18H18N2/c1-3-4-16-9-11-18(12-10-16)14-20-19-13-17-7-5-15(2)6-8-17/h3,5-14H,1,4H2,2H3/b19-13+,20-14+.
What are the key properties of (E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine?
(E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine has a molecular weight of 262.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methylphenyl)-N-[(E)-(4-prop-2-enylphenyl)methylideneamino]methanimine is sourced from PubChem (CID 19368603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).