2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine

C13H23N3O — CID 113308663

IUPAC2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)c1nc(C2CCCC2)no1
InChIInChI=1S/C13H23N3O/c1-3-13(4-2,9-14)12-15-11(16-17-12)10-7-5-6-8-10/h10H,3-9,14H2,1-2H3
InChIKeyGWYDQVXQEGWEHO-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.74
Rot. Bonds5

About 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine

2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine (PubChem CID 113308663) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
PubChem CID113308663
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)c1nc(C2CCCC2)no1
InChIInChI=1S/C13H23N3O/c1-3-13(4-2,9-14)12-15-11(16-17-12)10-7-5-6-8-10/h10H,3-9,14H2,1-2H3
InChIKeyGWYDQVXQEGWEHO-UHFFFAOYSA-N
XLogP2.74
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
CID 115430515
2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 107925071
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 80601727
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 80601737
3-cyclononyl-5-(1,1-difluoroethyl)-1,2,4-oxadiazole
CID 167237870
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 65261284
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65403043
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane
CID 58057165
3-cyclopentyl-5-methyl-1,2,4-oxadiazole
CID 90327686
(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 65222397

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine?
The IUPAC name of 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine (CID 113308663) is 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine.
What is the SMILES notation for 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine?
The canonical SMILES for 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine is CCC(CC)(CN)c1nc(C2CCCC2)no1.
What is the InChIKey of 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine?
The InChIKey is GWYDQVXQEGWEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-13(4-2,9-14)12-15-11(16-17-12)10-7-5-6-8-10/h10H,3-9,14H2,1-2H3.
What are the key properties of 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine?
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine is sourced from PubChem (CID 113308663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).