2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine

C11H21N3O3 — CID 114186104

IUPAC2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCCOC(CNCCc1nc(C)no1)OCC
InChIInChI=1S/C11H21N3O3/c1-4-15-11(16-5-2)8-12-7-6-10-13-9(3)14-17-10/h11-12H,4-8H2,1-3H3
InChIKeyOQCLDVNIIWKEBL-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.91
Rot. Bonds9

About 2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine

2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine (PubChem CID 114186104) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
PubChem CID114186104
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCCOC(CNCCc1nc(C)no1)OCC
InChIInChI=1S/C11H21N3O3/c1-4-15-11(16-5-2)8-12-7-6-10-13-9(3)14-17-10/h11-12H,4-8H2,1-3H3
InChIKeyOQCLDVNIIWKEBL-UHFFFAOYSA-N
XLogP0.91
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106414051
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106416371
ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate
CID 106419650
N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 106414532
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol
CID 106416605
2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine
CID 115887438
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085
methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106417020
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-phenylpropanoic acid
CID 106416924
propan-2-yl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106416705
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106417246

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine (CID 114186104) is 2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine is CCOC(CNCCc1nc(C)no1)OCC.
What is the InChIKey of 2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The InChIKey is OQCLDVNIIWKEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-4-15-11(16-5-2)8-12-7-6-10-13-9(3)14-17-10/h11-12H,4-8H2,1-3H3.
What are the key properties of 2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine has a molecular weight of 243.31 g/mol, XLogP of 0.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 114186104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).