4-[1-(4-propylphenyl)ethylideneamino]benzonitrile

C18H18N2 — CID 71370540

IUPAC4-[1-(4-propylphenyl)ethylideneamino]benzonitrile
SMILESCCCc1ccc(/C(C)=N/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H18N2/c1-3-4-15-5-9-17(10-6-15)14(2)20-18-11-7-16(13-19)8-12-18/h5-12H,3-4H2,1-2H3/b20-14+
InChIKeyFMZVGKMLVCCERJ-XSFVSMFZSA-N
MW262.36 g/mol
LogP4.65
Rot. Bonds4

About 4-[1-(4-propylphenyl)ethylideneamino]benzonitrile

4-[1-(4-propylphenyl)ethylideneamino]benzonitrile (PubChem CID 71370540) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[1-(4-propylphenyl)ethylideneamino]benzonitrile.

Molecular Properties

Compound Name4-[1-(4-propylphenyl)ethylideneamino]benzonitrile
PubChem CID71370540
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-[1-(4-propylphenyl)ethylideneamino]benzonitrile
SMILESCCCc1ccc(/C(C)=N/c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H18N2/c1-3-4-15-5-9-17(10-6-15)14(2)20-18-11-7-16(13-19)8-12-18/h5-12H,3-4H2,1-2H3/b20-14+
InChIKeyFMZVGKMLVCCERJ-XSFVSMFZSA-N
XLogP4.65
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
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 4-[1-(4-propylphenyl)ethylideneamino]benzonitrile?
The IUPAC name of 4-[1-(4-propylphenyl)ethylideneamino]benzonitrile (CID 71370540) is 4-[1-(4-propylphenyl)ethylideneamino]benzonitrile.
What is the SMILES notation for 4-[1-(4-propylphenyl)ethylideneamino]benzonitrile?
The canonical SMILES for 4-[1-(4-propylphenyl)ethylideneamino]benzonitrile is CCCc1ccc(/C(C)=N/c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[1-(4-propylphenyl)ethylideneamino]benzonitrile?
The InChIKey is FMZVGKMLVCCERJ-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H18N2/c1-3-4-15-5-9-17(10-6-15)14(2)20-18-11-7-16(13-19)8-12-18/h5-12H,3-4H2,1-2H3/b20-14+.
What are the key properties of 4-[1-(4-propylphenyl)ethylideneamino]benzonitrile?
4-[1-(4-propylphenyl)ethylideneamino]benzonitrile has a molecular weight of 262.36 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-propylphenyl)ethylideneamino]benzonitrile is sourced from PubChem (CID 71370540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).