1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine

C11H21N3O — CID 62164103

IUPAC1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(CC(C)(C)C)o1
InChIInChI=1S/C11H21N3O/c1-6-12-8(2)10-14-13-9(15-10)7-11(3,4)5/h8,12H,6-7H2,1-5H3
InChIKeyNNKXHZOAXZAROV-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.33
Rot. Bonds4

About 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine

1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (PubChem CID 62164103) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
PubChem CID62164103
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(CC(C)(C)C)o1
InChIInChI=1S/C11H21N3O/c1-6-12-8(2)10-14-13-9(15-10)7-11(3,4)5/h8,12H,6-7H2,1-5H3
InChIKeyNNKXHZOAXZAROV-UHFFFAOYSA-N
XLogP2.33
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(5-octyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 65428734
N-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 103212008
1-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163927
1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163232
3-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 114167811
3-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62138165
1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62163381
N-ethyl-1-(5-heptan-3-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62163225
N-[1-(5-heptyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62162889
N-ethyl-1-[5-(4-ethylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 65207581
N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62164274
N-ethyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 60661957

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (CID 62164103) is 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is CCNC(C)c1nnc(CC(C)(C)C)o1.
What is the InChIKey of 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The InChIKey is NNKXHZOAXZAROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-6-12-8(2)10-14-13-9(15-10)7-11(3,4)5/h8,12H,6-7H2,1-5H3.
What are the key properties of 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine has a molecular weight of 211.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 62164103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).