(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine

C19H19FN2 — CID 19368344

IUPAC(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
SMILESC=CCCCc1ccc(/C=N/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2/c1-2-3-4-5-16-6-8-17(9-7-16)14-21-22-15-18-10-12-19(20)13-11-18/h2,6-15H,1,3-5H2/b21-14+,22-15+
InChIKeyWCCNGHNSZIRWLE-NNFYUIBOSA-N
MW294.37 g/mol
LogP4.79
Rot. Bonds7

About (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine

(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine (PubChem CID 19368344) has the molecular formula C19H19FN2 and a molecular weight of 294.37 g/mol. Its IUPAC name is (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
PubChem CID19368344
Molecular FormulaC19H19FN2
Molecular Weight294.37 g/mol
Exact Mass294.15
IUPAC Name(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
SMILESC=CCCCc1ccc(/C=N/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2/c1-2-3-4-5-16-6-8-17(9-7-16)14-21-22-15-18-10-12-19(20)13-11-18/h2,6-15H,1,3-5H2/b21-14+,22-15+
InChIKeyWCCNGHNSZIRWLE-NNFYUIBOSA-N
XLogP4.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine?
The IUPAC name of (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine (CID 19368344) is (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine.
What is the SMILES notation for (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine?
The canonical SMILES for (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine is C=CCCCc1ccc(/C=N/N=C/c2ccc(F)cc2)cc1.
What is the InChIKey of (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine?
The InChIKey is WCCNGHNSZIRWLE-NNFYUIBOSA-N. The full InChI is InChI=1S/C19H19FN2/c1-2-3-4-5-16-6-8-17(9-7-16)14-21-22-15-18-10-12-19(20)13-11-18/h2,6-15H,1,3-5H2/b21-14+,22-15+.
What are the key properties of (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine?
(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine has a molecular weight of 294.37 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine is sourced from PubChem (CID 19368344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).