1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate

C15H22N2O2 — CID 14146433

IUPAC1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate
SMILESCC(=O)OC(C)c1cc(C)c(/N=C/N(C)C)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-10-7-14(12(3)19-13(4)18)8-11(2)15(10)16-9-17(5)6/h7-9,12H,1-6H3/b16-9+
InChIKeyOBFFTLSSYKNWGI-CXUHLZMHSA-N
MW262.35 g/mol
LogP3.15
Rot. Bonds4

About 1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate

1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate (PubChem CID 14146433) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate.

Molecular Properties

Compound Name1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate
PubChem CID14146433
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate
SMILESCC(=O)OC(C)c1cc(C)c(/N=C/N(C)C)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-10-7-14(12(3)19-13(4)18)8-11(2)15(10)16-9-17(5)6/h7-9,12H,1-6H3/b16-9+
InChIKeyOBFFTLSSYKNWGI-CXUHLZMHSA-N
XLogP3.15
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate?
The IUPAC name of 1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate (CID 14146433) is 1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate.
What is the SMILES notation for 1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate?
The canonical SMILES for 1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate is CC(=O)OC(C)c1cc(C)c(/N=C/N(C)C)c(C)c1.
What is the InChIKey of 1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate?
The InChIKey is OBFFTLSSYKNWGI-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-7-14(12(3)19-13(4)18)8-11(2)15(10)16-9-17(5)6/h7-9,12H,1-6H3/b16-9+.
What are the key properties of 1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate?
1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate has a molecular weight of 262.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate is sourced from PubChem (CID 14146433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).