1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine

C11H21N3O — CID 43099581

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1nc(C(C)(C)C)no1
InChIInChI=1S/C11H21N3O/c1-7(2)6-8(12)9-13-10(14-15-9)11(3,4)5/h7-8H,6,12H2,1-5H3
InChIKeyAKCPILPLMRYUNH-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.41
Rot. Bonds3

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine (PubChem CID 43099581) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine
PubChem CID43099581
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1nc(C(C)(C)C)no1
InChIInChI=1S/C11H21N3O/c1-7(2)6-8(12)9-13-10(14-15-9)11(3,4)5/h7-8H,6,12H2,1-5H3
InChIKeyAKCPILPLMRYUNH-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43108532
(1S)-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904161
(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine
CID 114264506
2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66167315
(1S)-3-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904314
(1S)-3-methyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880721
5-[(1S)-1-amino-3-methylbutyl]-N,N-diethyl-1,2,4-oxadiazol-3-amine
CID 104904371
(1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904194
(1R)-1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904166
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65094593
(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
CID 119342865
(1R)-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 106814666

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine (CID 43099581) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine is CC(C)CC(N)c1nc(C(C)(C)C)no1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine?
The InChIKey is AKCPILPLMRYUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(2)6-8(12)9-13-10(14-15-9)11(3,4)5/h7-8H,6,12H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 43099581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).