2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine

C13H23NO2S — CID 63619196

IUPAC2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCOC(CN(CC)Cc1cccs1)OCC
InChIInChI=1S/C13H23NO2S/c1-4-14(10-12-8-7-9-17-12)11-13(15-5-2)16-6-3/h7-9,13H,4-6,10-11H2,1-3H3
InChIKeyDQDYREKIPCUOOH-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.97
Rot. Bonds9

About 2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine

2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 63619196) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID63619196
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCOC(CN(CC)Cc1cccs1)OCC
InChIInChI=1S/C13H23NO2S/c1-4-14(10-12-8-7-9-17-12)11-13(15-5-2)16-6-3/h7-9,13H,4-6,10-11H2,1-3H3
InChIKeyDQDYREKIPCUOOH-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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

2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79486334
1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 112561384
1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 74226498
N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61437521
1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991861
1-(diethylamino)-3-thiophen-2-ylpropan-2-ol
CID 121219027
N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 55249177
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
N-(2-ethoxyethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556643
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine (CID 63619196) is 2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine is CCOC(CN(CC)Cc1cccs1)OCC.
What is the InChIKey of 2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is DQDYREKIPCUOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-4-14(10-12-8-7-9-17-12)11-13(15-5-2)16-6-3/h7-9,13H,4-6,10-11H2,1-3H3.
What are the key properties of 2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine?
2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 257.40 g/mol, XLogP of 2.97, 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-ethyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 63619196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).