diethyl-[2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethyl]azanium chloride

C15H25ClN2O — CID 6532415

IUPACdiethyl-[2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethyl]azanium chloride
SMILESCC[NH+](CC)CCO/N=C(/C)c1ccc(C)cc1.[Cl-]
InChIInChI=1S/C15H24N2O.ClH/c1-5-17(6-2)11-12-18-16-14(4)15-9-7-13(3)8-10-15;/h7-10H,5-6,11-12H2,1-4H3;1H/b16-14-;
InChIKeyGUAADMADQNPRJZ-ULQCMBKMSA-N
MW284.83 g/mol
LogP-1.34
Rot. Bonds7

About diethyl-[2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethyl]azanium chloride

diethyl-[2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethyl]azanium chloride (PubChem CID 6532415) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is diethyl-[2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethyl]azanium chloride.

Molecular Properties

Compound Namediethyl-[2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethyl]azanium chloride
PubChem CID6532415
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Namediethyl-[2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethyl]azanium chloride
SMILESCC[NH+](CC)CCO/N=C(/C)c1ccc(C)cc1.[Cl-]
InChIInChI=1S/C15H24N2O.ClH/c1-5-17(6-2)11-12-18-16-14(4)15-9-7-13(3)8-10-15;/h7-10H,5-6,11-12H2,1-4H3;1H/b16-14-;
InChIKeyGUAADMADQNPRJZ-ULQCMBKMSA-N
XLogP-1.34
TPSA26.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethyl]azanium chloride?
The IUPAC name of diethyl-[2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethyl]azanium chloride (CID 6532415) is diethyl-[2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethyl]azanium chloride.
What is the SMILES notation for diethyl-[2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethyl]azanium chloride?
The canonical SMILES for diethyl-[2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethyl]azanium chloride is CC[NH+](CC)CCO/N=C(/C)c1ccc(C)cc1.[Cl-].
What is the InChIKey of diethyl-[2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethyl]azanium chloride?
The InChIKey is GUAADMADQNPRJZ-ULQCMBKMSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-5-17(6-2)11-12-18-16-14(4)15-9-7-13(3)8-10-15;/h7-10H,5-6,11-12H2,1-4H3;1H/b16-14-;.
What are the key properties of diethyl-[2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethyl]azanium chloride?
diethyl-[2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethyl]azanium chloride has a molecular weight of 284.83 g/mol, XLogP of -1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethyl]azanium chloride is sourced from PubChem (CID 6532415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).