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

C16H29N3O — CID 80601737

IUPAC3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
SMILESCC(C)(N)C(C)(C)c1nc(C2CCCCCCC2)no1
InChIInChI=1S/C16H29N3O/c1-15(2,16(3,4)17)14-18-13(19-20-14)12-10-8-6-5-7-9-11-12/h12H,5-11,17H2,1-4H3
InChIKeyQCEIZIUDTOUTFQ-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.91
Rot. Bonds3

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

3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine (PubChem CID 80601737) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
PubChem CID80601737
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
SMILESCC(C)(N)C(C)(C)c1nc(C2CCCCCCC2)no1
InChIInChI=1S/C16H29N3O/c1-15(2,16(3,4)17)14-18-13(19-20-14)12-10-8-6-5-7-9-11-12/h12H,5-11,17H2,1-4H3
InChIKeyQCEIZIUDTOUTFQ-UHFFFAOYSA-N
XLogP3.91
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 65261284
2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65425779
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 80601727
3-cyclononyl-5-(1,1-difluoroethyl)-1,2,4-oxadiazole
CID 167237870
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
CID 113308663
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane
CID 58057165
(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-dimethylpropan-1-amine
CID 93357432
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine
CID 65390099
(3-cyclohexyl-1,2,4-oxadiazol-5-yl)hydrazine
CID 62596343
3-cyclopentyl-5-methyl-1,2,4-oxadiazole
CID 90327686
3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 65261429
2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 80620897

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine?
The IUPAC name of 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine (CID 80601737) is 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine.
What is the SMILES notation for 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine?
The canonical SMILES for 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine is CC(C)(N)C(C)(C)c1nc(C2CCCCCCC2)no1.
What is the InChIKey of 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine?
The InChIKey is QCEIZIUDTOUTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-15(2,16(3,4)17)14-18-13(19-20-14)12-10-8-6-5-7-9-11-12/h12H,5-11,17H2,1-4H3.
What are the key properties of 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine?
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine is sourced from PubChem (CID 80601737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).