N-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline

C16H25NO — CID 134226172

IUPACN-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline
SMILESCCO/C(C)=C(/C)N(CC)c1c(C)cccc1C
InChIInChI=1S/C16H25NO/c1-7-17(14(5)15(6)18-8-2)16-12(3)10-9-11-13(16)4/h9-11H,7-8H2,1-6H3/b15-14-
InChIKeyGSKJEIVUHYMFNY-PFONDFGASA-N
MW247.38 g/mol
LogP4.42
Rot. Bonds5

About N-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline

N-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline (PubChem CID 134226172) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline.

Molecular Properties

Compound NameN-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline
PubChem CID134226172
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline
SMILESCCO/C(C)=C(/C)N(CC)c1c(C)cccc1C
InChIInChI=1S/C16H25NO/c1-7-17(14(5)15(6)18-8-2)16-12(3)10-9-11-13(16)4/h9-11H,7-8H2,1-6H3/b15-14-
InChIKeyGSKJEIVUHYMFNY-PFONDFGASA-N
XLogP4.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethylphenyl)-1-ethylhydrazine
CID 142488614
carbon monoxide;chromium;N-(2,6-dimethylphenyl)-N-ethyl-2,2-dimethylpropanamide
CID 135077934
2-amino-N-(2,3-dimethylphenyl)-N-ethylacetamide
CID 28794703
1-ethyl-1-(2-methoxy-6-methylphenyl)hydrazine
CID 142488376
2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
CID 115550058
N-(2,6-dimethylphenyl)-2-ethoxy-N-prop-1-en-2-ylacetamide
CID 70495693
2-(diethylamino)-3-methylbenzenecarboximidamide
CID 107109942
ethyl N-(4-tert-butyl-2,6-dimethylphenyl)-N-ethylcarbamate
CID 134283843
N,N-dihydroxy-2,6-dimethylaniline
CID 89145253
N-(2,6-dimethylphenyl)-N-prop-2-ynylbut-2-ynamide
CID 20510050
ethyl 2-(2,6-dimethyl-N-methylsulfonylanilino)acetate
CID 2217801
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline?
The IUPAC name of N-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline (CID 134226172) is N-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline.
What is the SMILES notation for N-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline?
The canonical SMILES for N-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline is CCO/C(C)=C(/C)N(CC)c1c(C)cccc1C.
What is the InChIKey of N-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline?
The InChIKey is GSKJEIVUHYMFNY-PFONDFGASA-N. The full InChI is InChI=1S/C16H25NO/c1-7-17(14(5)15(6)18-8-2)16-12(3)10-9-11-13(16)4/h9-11H,7-8H2,1-6H3/b15-14-.
What are the key properties of N-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline?
N-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline has a molecular weight of 247.38 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-ethoxybut-2-en-2-yl]-N-ethyl-2,6-dimethylaniline is sourced from PubChem (CID 134226172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).