2-[(E)-[(E)-1-(4-chlorophenyl)hex-1-en-3-ylidene]amino]oxy-N,N-dimethylethanamine

C16H23ClN2O — CID 22858384

IUPAC2-[(E)-[(E)-1-(4-chlorophenyl)hex-1-en-3-ylidene]amino]oxy-N,N-dimethylethanamine
SMILESCCCC(/C=C/c1ccc(Cl)cc1)=N\OCCN(C)C
InChIInChI=1S/C16H23ClN2O/c1-4-5-16(18-20-13-12-19(2)3)11-8-14-6-9-15(17)10-7-14/h6-11H,4-5,12-13H2,1-3H3/b11-8+,18-16+
InChIKeyMYWPGBRSFNQGIN-PTAVRCNVSA-N
MW294.83 g/mol
LogP4.09
Rot. Bonds8

About 2-[(E)-[(E)-1-(4-chlorophenyl)hex-1-en-3-ylidene]amino]oxy-N,N-dimethylethanamine

2-[(E)-[(E)-1-(4-chlorophenyl)hex-1-en-3-ylidene]amino]oxy-N,N-dimethylethanamine (PubChem CID 22858384) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-[(E)-[(E)-1-(4-chlorophenyl)hex-1-en-3-ylidene]amino]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(E)-[(E)-1-(4-chlorophenyl)hex-1-en-3-ylidene]amino]oxy-N,N-dimethylethanamine
PubChem CID22858384
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-[(E)-[(E)-1-(4-chlorophenyl)hex-1-en-3-ylidene]amino]oxy-N,N-dimethylethanamine
SMILESCCCC(/C=C/c1ccc(Cl)cc1)=N\OCCN(C)C
InChIInChI=1S/C16H23ClN2O/c1-4-5-16(18-20-13-12-19(2)3)11-8-14-6-9-15(17)10-7-14/h6-11H,4-5,12-13H2,1-3H3/b11-8+,18-16+
InChIKeyMYWPGBRSFNQGIN-PTAVRCNVSA-N
XLogP4.09
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 2-[(E)-[(E)-1-(4-chlorophenyl)hex-1-en-3-ylidene]amino]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[(E)-[(E)-1-(4-chlorophenyl)hex-1-en-3-ylidene]amino]oxy-N,N-dimethylethanamine (CID 22858384) is 2-[(E)-[(E)-1-(4-chlorophenyl)hex-1-en-3-ylidene]amino]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(E)-[(E)-1-(4-chlorophenyl)hex-1-en-3-ylidene]amino]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[(E)-[(E)-1-(4-chlorophenyl)hex-1-en-3-ylidene]amino]oxy-N,N-dimethylethanamine is CCCC(/C=C/c1ccc(Cl)cc1)=N\OCCN(C)C.
What is the InChIKey of 2-[(E)-[(E)-1-(4-chlorophenyl)hex-1-en-3-ylidene]amino]oxy-N,N-dimethylethanamine?
The InChIKey is MYWPGBRSFNQGIN-PTAVRCNVSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-4-5-16(18-20-13-12-19(2)3)11-8-14-6-9-15(17)10-7-14/h6-11H,4-5,12-13H2,1-3H3/b11-8+,18-16+.
What are the key properties of 2-[(E)-[(E)-1-(4-chlorophenyl)hex-1-en-3-ylidene]amino]oxy-N,N-dimethylethanamine?
2-[(E)-[(E)-1-(4-chlorophenyl)hex-1-en-3-ylidene]amino]oxy-N,N-dimethylethanamine has a molecular weight of 294.83 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(E)-1-(4-chlorophenyl)hex-1-en-3-ylidene]amino]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 22858384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).