4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine

C15H27N3O2 — CID 102629560

IUPAC4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCOC(C)(C)c1noc(C2CCC(N)C(C)C2(C)C)n1
InChIInChI=1S/C15H27N3O2/c1-9-11(16)8-7-10(14(9,2)3)12-17-13(18-20-12)15(4,5)19-6/h9-11H,7-8,16H2,1-6H3
InChIKeyHCEZBIQYCNIMBE-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.82
Rot. Bonds3

About 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine

4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102629560) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102629560
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCOC(C)(C)c1noc(C2CCC(N)C(C)C2(C)C)n1
InChIInChI=1S/C15H27N3O2/c1-9-11(16)8-7-10(14(9,2)3)12-17-13(18-20-12)15(4,5)19-6/h9-11H,7-8,16H2,1-6H3
InChIKeyHCEZBIQYCNIMBE-UHFFFAOYSA-N
XLogP2.82
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine (CID 102629560) is 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine is COC(C)(C)c1noc(C2CCC(N)C(C)C2(C)C)n1.
What is the InChIKey of 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is HCEZBIQYCNIMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-9-11(16)8-7-10(14(9,2)3)12-17-13(18-20-12)15(4,5)19-6/h9-11H,7-8,16H2,1-6H3.
What are the key properties of 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine?
4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102629560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).