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

C11H21N3O — CID 61354500

IUPAC2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(CC(C)(C)C)n1
InChIInChI=1S/C11H21N3O/c1-6-11(5,12)9-13-8(15-14-9)7-10(2,3)4/h6-7,12H2,1-5H3
InChIKeyNLICRPCCXVGBCC-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.24
Rot. Bonds3

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

2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 61354500) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID61354500
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(CC(C)(C)C)n1
InChIInChI=1S/C11H21N3O/c1-6-11(5,12)9-13-8(15-14-9)7-10(2,3)4/h6-7,12H2,1-5H3
InChIKeyNLICRPCCXVGBCC-UHFFFAOYSA-N
XLogP2.24
TPSA64.94 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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 61354500) is 2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine is CCC(C)(N)c1noc(CC(C)(C)C)n1.
What is the InChIKey of 2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is NLICRPCCXVGBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-6-11(5,12)9-13-8(15-14-9)7-10(2,3)4/h6-7,12H2,1-5H3.
What are the key properties of 2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine?
2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine is sourced from PubChem (CID 61354500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).