1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine

C18H22N2O2 — CID 71335504

IUPAC1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine
SMILESCCCCOc1ccc(/C=N/c2ccc(OCC)cc2)nc1
InChIInChI=1S/C18H22N2O2/c1-3-5-12-22-18-11-8-16(20-14-18)13-19-15-6-9-17(10-7-15)21-4-2/h6-11,13-14H,3-5,12H2,1-2H3/b19-13+
InChIKeyQTZYIJMPMICWMR-CPNJWEJPSA-N
MW298.39 g/mol
LogP4.41
Rot. Bonds8

About 1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine

1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine (PubChem CID 71335504) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine
PubChem CID71335504
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine
SMILESCCCCOc1ccc(/C=N/c2ccc(OCC)cc2)nc1
InChIInChI=1S/C18H22N2O2/c1-3-5-12-22-18-11-8-16(20-14-18)13-19-15-6-9-17(10-7-15)21-4-2/h6-11,13-14H,3-5,12H2,1-2H3/b19-13+
InChIKeyQTZYIJMPMICWMR-CPNJWEJPSA-N
XLogP4.41
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 71354191
1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
CID 102390426
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine
CID 143027534
1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine
CID 102598751
1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 102149823
1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane
CID 143730217
1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine
CID 4065401
1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine
CID 86093718
1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3287327
2-(4-butoxyphenyl)iminoacetaldehyde
CID 58611116
N-(4-hexoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 86094874

Frequently Asked Questions

What is the IUPAC name of 1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine?
The IUPAC name of 1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine (CID 71335504) is 1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine.
What is the SMILES notation for 1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine?
The canonical SMILES for 1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine is CCCCOc1ccc(/C=N/c2ccc(OCC)cc2)nc1.
What is the InChIKey of 1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine?
The InChIKey is QTZYIJMPMICWMR-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-5-12-22-18-11-8-16(20-14-18)13-19-15-6-9-17(10-7-15)21-4-2/h6-11,13-14H,3-5,12H2,1-2H3/b19-13+.
What are the key properties of 1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine?
1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine has a molecular weight of 298.39 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine is sourced from PubChem (CID 71335504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).