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

C11H21N3O — CID 63891484

IUPAC2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc(CC(C)(C)C)no1
InChIInChI=1S/C11H21N3O/c1-10(2,3)7-8-13-9(15-14-8)11(4,5)12-6/h12H,7H2,1-6H3
InChIKeyILUQMCXWOMAIBM-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.11
Rot. Bonds3

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

2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (PubChem CID 63891484) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
PubChem CID63891484
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc(CC(C)(C)C)no1
InChIInChI=1S/C11H21N3O/c1-10(2,3)7-8-13-9(15-14-8)11(4,5)12-6/h12H,7H2,1-6H3
InChIKeyILUQMCXWOMAIBM-UHFFFAOYSA-N
XLogP2.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (CID 63891484) is 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is CNC(C)(C)c1nc(CC(C)(C)C)no1.
What is the InChIKey of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The InChIKey is ILUQMCXWOMAIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(2,3)7-8-13-9(15-14-8)11(4,5)12-6/h12H,7H2,1-6H3.
What are the key properties of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 63891484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).