N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine

C15H24N2O — CID 6914257

IUPACN,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine
SMILESCCN(CC)CCO/N=C(/C)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O/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/b16-14-
InChIKeyASARHJDSDGNCJG-PEZBUJJGSA-N
MW248.37 g/mol
LogP3.08
Rot. Bonds7

About N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine

N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine (PubChem CID 6914257) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine
PubChem CID6914257
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine
SMILESCCN(CC)CCO/N=C(/C)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O/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/b16-14-
InChIKeyASARHJDSDGNCJG-PEZBUJJGSA-N
XLogP3.08
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.08
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 N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine?
The IUPAC name of N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine (CID 6914257) is N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine?
The canonical SMILES for N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine is CCN(CC)CCO/N=C(/C)c1ccc(C)cc1.
What is the InChIKey of N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine?
The InChIKey is ASARHJDSDGNCJG-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H24N2O/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/b16-14-.
What are the key properties of N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine?
N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine has a molecular weight of 248.37 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(Z)-1-(4-methylphenyl)ethylideneamino]oxyethanamine is sourced from PubChem (CID 6914257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).