N-(2-ethoxyethyl)-1-[4-(2-ethoxyethyliminomethyl)phenyl]methanimine

C16H24N2O2 — CID 56841176

IUPACN-(2-ethoxyethyl)-1-[4-(2-ethoxyethyliminomethyl)phenyl]methanimine
SMILESCCOCC/N=C/c1ccc(/C=N/CCOCC)cc1
InChIInChI=1S/C16H24N2O2/c1-3-19-11-9-17-13-15-5-7-16(8-6-15)14-18-10-12-20-4-2/h5-8,13-14H,3-4,9-12H2,1-2H3/b17-13+,18-14+
InChIKeyDEEZXCQZRUWXAL-HBKJEHTGSA-N
MW276.38 g/mol
LogP2.60
Rot. Bonds10

About N-(2-ethoxyethyl)-1-[4-(2-ethoxyethyliminomethyl)phenyl]methanimine

N-(2-ethoxyethyl)-1-[4-(2-ethoxyethyliminomethyl)phenyl]methanimine (PubChem CID 56841176) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-[4-(2-ethoxyethyliminomethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-[4-(2-ethoxyethyliminomethyl)phenyl]methanimine
PubChem CID56841176
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-ethoxyethyl)-1-[4-(2-ethoxyethyliminomethyl)phenyl]methanimine
SMILESCCOCC/N=C/c1ccc(/C=N/CCOCC)cc1
InChIInChI=1S/C16H24N2O2/c1-3-19-11-9-17-13-15-5-7-16(8-6-15)14-18-10-12-20-4-2/h5-8,13-14H,3-4,9-12H2,1-2H3/b17-13+,18-14+
InChIKeyDEEZXCQZRUWXAL-HBKJEHTGSA-N
XLogP2.60
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1-[4-(2-ethoxyethyliminomethyl)phenyl]methanimine?
The IUPAC name of N-(2-ethoxyethyl)-1-[4-(2-ethoxyethyliminomethyl)phenyl]methanimine (CID 56841176) is N-(2-ethoxyethyl)-1-[4-(2-ethoxyethyliminomethyl)phenyl]methanimine.
What is the SMILES notation for N-(2-ethoxyethyl)-1-[4-(2-ethoxyethyliminomethyl)phenyl]methanimine?
The canonical SMILES for N-(2-ethoxyethyl)-1-[4-(2-ethoxyethyliminomethyl)phenyl]methanimine is CCOCC/N=C/c1ccc(/C=N/CCOCC)cc1.
What is the InChIKey of N-(2-ethoxyethyl)-1-[4-(2-ethoxyethyliminomethyl)phenyl]methanimine?
The InChIKey is DEEZXCQZRUWXAL-HBKJEHTGSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-19-11-9-17-13-15-5-7-16(8-6-15)14-18-10-12-20-4-2/h5-8,13-14H,3-4,9-12H2,1-2H3/b17-13+,18-14+.
What are the key properties of N-(2-ethoxyethyl)-1-[4-(2-ethoxyethyliminomethyl)phenyl]methanimine?
N-(2-ethoxyethyl)-1-[4-(2-ethoxyethyliminomethyl)phenyl]methanimine has a molecular weight of 276.38 g/mol, XLogP of 2.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-[4-(2-ethoxyethyliminomethyl)phenyl]methanimine is sourced from PubChem (CID 56841176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).