2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine

C13H23NO2S — CID 79547244

IUPAC2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
SMILESCCOC(CNC(C)c1ccc(C)s1)OCC
InChIInChI=1S/C13H23NO2S/c1-5-15-13(16-6-2)9-14-11(4)12-8-7-10(3)17-12/h7-8,11,13-14H,5-6,9H2,1-4H3
InChIKeyOAVSOSLLUOVCKL-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.11
Rot. Bonds8

About 2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine

2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine (PubChem CID 79547244) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
PubChem CID79547244
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
SMILESCCOC(CNC(C)c1ccc(C)s1)OCC
InChIInChI=1S/C13H23NO2S/c1-5-15-13(16-6-2)9-14-11(4)12-8-7-10(3)17-12/h7-8,11,13-14H,5-6,9H2,1-4H3
InChIKeyOAVSOSLLUOVCKL-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473499
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 103906827
2-(1-ethoxyethyl)-5-methylthiophene
CID 134421689
2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115895530
2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 83141831
2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 63983222
2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115713828
1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 106989621
1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 54952800
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine (CID 79547244) is 2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine is CCOC(CNC(C)c1ccc(C)s1)OCC.
What is the InChIKey of 2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is OAVSOSLLUOVCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-5-15-13(16-6-2)9-14-11(4)12-8-7-10(3)17-12/h7-8,11,13-14H,5-6,9H2,1-4H3.
What are the key properties of 2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine has a molecular weight of 257.40 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 79547244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).