1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C12H21N3O — CID 120859920

IUPAC1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCC(C)(C)CCc1nc(C2(N)CCC2)no1
InChIInChI=1S/C12H21N3O/c1-11(2,3)8-5-9-14-10(15-16-9)12(13)6-4-7-12/h4-8,13H2,1-3H3
InChIKeyGTGDDIPIRZUEKT-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.39
Rot. Bonds3

About 1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120859920) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120859920
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCC(C)(C)CCc1nc(C2(N)CCC2)no1
InChIInChI=1S/C12H21N3O/c1-11(2,3)8-5-9-14-10(15-16-9)12(13)6-4-7-12/h4-8,13H2,1-3H3
InChIKeyGTGDDIPIRZUEKT-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353306
1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
CID 65426980
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
CID 120862662
1-[5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861670
1-[5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859276
1-[5-[2-(3,5-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861179
1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859082
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2,5-dione;hydrochloride
CID 120851273
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62504830

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120859920) is 1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is CC(C)(C)CCc1nc(C2(N)CCC2)no1.
What is the InChIKey of 1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is GTGDDIPIRZUEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2,3)8-5-9-14-10(15-16-9)12(13)6-4-7-12/h4-8,13H2,1-3H3.
What are the key properties of 1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120859920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).