N-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine

C12H19NO2S — CID 14461470

IUPACN-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine
SMILESCCOC(C/N=C(\C)c1cccs1)OCC
InChIInChI=1S/C12H19NO2S/c1-4-14-12(15-5-2)9-13-10(3)11-7-6-8-16-11/h6-8,12H,4-5,9H2,1-3H3/b13-10+
InChIKeyGJRCMOJDVLFQTF-JLHYYAGUSA-N
MW241.36 g/mol
LogP2.96
Rot. Bonds7

About N-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine

N-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine (PubChem CID 14461470) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine
PubChem CID14461470
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine
SMILESCCOC(C/N=C(\C)c1cccs1)OCC
InChIInChI=1S/C12H19NO2S/c1-4-14-12(15-5-2)9-13-10(3)11-7-6-8-16-11/h6-8,12H,4-5,9H2,1-3H3/b13-10+
InChIKeyGJRCMOJDVLFQTF-JLHYYAGUSA-N
XLogP2.96
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-thiophen-2-ylethanimine
CID 86108840
N-(2,6-diethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827833
N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410038
2-(2,2-diethoxyethylsulfanyl)thiophene
CID 12623867
ethyl (2S)-3-oxo-2-(thiophene-2-carbonyl)butanoate
CID 98044566
ethyl 3-oxo-2-(thiophene-2-carbonyl)-3-thiophen-2-ylpropanoate
CID 139814505
N-(4-methylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410197
ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate
CID 58003647
CID 11799122
CID 11799122
2-ethoxy-1-thiophen-2-ylpropan-1-ol
CID 64541559
2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
N-ethylthiophene-2-carboximidoyl isocyanide
CID 20728939

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine?
The IUPAC name of N-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine (CID 14461470) is N-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine?
The canonical SMILES for N-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine is CCOC(C/N=C(\C)c1cccs1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine?
The InChIKey is GJRCMOJDVLFQTF-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-14-12(15-5-2)9-13-10(3)11-7-6-8-16-11/h6-8,12H,4-5,9H2,1-3H3/b13-10+.
What are the key properties of N-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine?
N-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine has a molecular weight of 241.36 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine is sourced from PubChem (CID 14461470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).