2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

C17H31N3O — CID 65425779

IUPAC2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(C)C1CCC(c2noc(C(C)(C)C(C)(C)N)n2)CC1
InChIInChI=1S/C17H31N3O/c1-11(2)12-7-9-13(10-8-12)14-19-15(21-20-14)16(3,4)17(5,6)18/h11-13H,7-10,18H2,1-6H3
InChIKeyMTFKESQZOPMODA-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.01
Rot. Bonds4

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

2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 65425779) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID65425779
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(C)C1CCC(c2noc(C(C)(C)C(C)(C)N)n2)CC1
InChIInChI=1S/C17H31N3O/c1-11(2)12-7-9-13(10-8-12)14-19-15(21-20-14)16(3,4)17(5,6)18/h11-13H,7-10,18H2,1-6H3
InChIKeyMTFKESQZOPMODA-UHFFFAOYSA-N
XLogP4.01
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine with MolForge

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Related Compounds

3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 65261284
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 80601737
2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65425586
3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 58051730
(1R)-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915347
1-cyclopropyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65401397
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65423270
4-methyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 65402610
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 80601727
2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 65423267
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65401192
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
CID 115430515

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 65425779) is 2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CC(C)C1CCC(c2noc(C(C)(C)C(C)(C)N)n2)CC1.
What is the InChIKey of 2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is MTFKESQZOPMODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-11(2)12-7-9-13(10-8-12)14-19-15(21-20-14)16(3,4)17(5,6)18/h11-13H,7-10,18H2,1-6H3.
What are the key properties of 2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 65425779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).