3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine

C12H21N3O — CID 65261284

IUPAC3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
SMILESCC(C)(N)C(C)(C)c1nc(C2CCC2)no1
InChIInChI=1S/C12H21N3O/c1-11(2,12(3,4)13)10-14-9(15-16-10)8-6-5-7-8/h8H,5-7,13H2,1-4H3
InChIKeyMTZKQJQRSMMCIK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.35
Rot. Bonds3

About 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine

3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine (PubChem CID 65261284) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
PubChem CID65261284
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
SMILESCC(C)(N)C(C)(C)c1nc(C2CCC2)no1
InChIInChI=1S/C12H21N3O/c1-11(2,12(3,4)13)10-14-9(15-16-10)8-6-5-7-8/h8H,5-7,13H2,1-4H3
InChIKeyMTZKQJQRSMMCIK-UHFFFAOYSA-N
XLogP2.35
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine?
The IUPAC name of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine (CID 65261284) is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine.
What is the SMILES notation for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine?
The canonical SMILES for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine is CC(C)(N)C(C)(C)c1nc(C2CCC2)no1.
What is the InChIKey of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine?
The InChIKey is MTZKQJQRSMMCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2,12(3,4)13)10-14-9(15-16-10)8-6-5-7-8/h8H,5-7,13H2,1-4H3.
What are the key properties of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine?
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine is sourced from PubChem (CID 65261284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).