2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine

C13H23NO2S — CID 79486334

IUPAC2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine
SMILESCCOC(CN(C)CCc1cccs1)OCC
InChIInChI=1S/C13H23NO2S/c1-4-15-13(16-5-2)11-14(3)9-8-12-7-6-10-17-12/h6-7,10,13H,4-5,8-9,11H2,1-3H3
InChIKeyYDGRGXIKXWJCTK-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.62
Rot. Bonds9

About 2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine

2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine (PubChem CID 79486334) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine
PubChem CID79486334
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine
SMILESCCOC(CN(C)CCc1cccs1)OCC
InChIInChI=1S/C13H23NO2S/c1-4-15-13(16-5-2)11-14(3)9-8-12-7-6-10-17-12/h6-7,10,13H,4-5,8-9,11H2,1-3H3
InChIKeyYDGRGXIKXWJCTK-UHFFFAOYSA-N
XLogP2.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
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

(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
CID 63619196
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80690433
1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 112561777
2-N,3-dimethyl-2-N-(2-thiophen-2-ylethyl)hexane-1,2-diamine
CID 79476641
1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79487965
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 79476363
1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317632
2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide
CID 63774361
N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 55249177

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine?
The IUPAC name of 2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine (CID 79486334) is 2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine?
The canonical SMILES for 2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine is CCOC(CN(C)CCc1cccs1)OCC.
What is the InChIKey of 2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine?
The InChIKey is YDGRGXIKXWJCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-4-15-13(16-5-2)11-14(3)9-8-12-7-6-10-17-12/h6-7,10,13H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine?
2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine has a molecular weight of 257.40 g/mol, XLogP of 2.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine is sourced from PubChem (CID 79486334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).