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

C11H19N3O — CID 107924606

IUPAC4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(N)CCc1nc(C2CC2(C)C)no1
InChIInChI=1S/C11H19N3O/c1-7(12)4-5-9-13-10(14-15-9)8-6-11(8,2)3/h7-8H,4-6,12H2,1-3H3
InChIKeyGTSOQVIXVPOGBV-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.86
Rot. Bonds4

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

4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 107924606) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID107924606
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(N)CCc1nc(C2CC2(C)C)no1
InChIInChI=1S/C11H19N3O/c1-7(12)4-5-9-13-10(14-15-9)8-6-11(8,2)3/h7-8H,4-6,12H2,1-3H3
InChIKeyGTSOQVIXVPOGBV-UHFFFAOYSA-N
XLogP1.86
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentan-1-amine
CID 107924982
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348149
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104880780
4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55202626
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107924677
N-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 107924618
[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methanol
CID 107924486
5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82845855
2-[[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 107924991
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 107924436
(1S)-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104880761
(1S)-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 107925138

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 107924606) is 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CC(N)CCc1nc(C2CC2(C)C)no1.
What is the InChIKey of 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is GTSOQVIXVPOGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(12)4-5-9-13-10(14-15-9)8-6-11(8,2)3/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 107924606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).