2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine

C16H29N3O2 — CID 116742957

IUPAC2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCCOC1(c2noc(C(C)(C)NC)n2)CCC(C)(C)CC1
InChIInChI=1S/C16H29N3O2/c1-7-20-16(10-8-14(2,3)9-11-16)12-18-13(21-19-12)15(4,5)17-6/h17H,7-11H2,1-6H3
InChIKeyARKYSPVTKTYNDQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.36
Rot. Bonds5

About 2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine

2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (PubChem CID 116742957) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
PubChem CID116742957
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
SMILESCCOC1(c2noc(C(C)(C)NC)n2)CCC(C)(C)CC1
InChIInChI=1S/C16H29N3O2/c1-7-20-16(10-8-14(2,3)9-11-16)12-18-13(21-19-12)15(4,5)17-6/h17H,7-11H2,1-6H3
InChIKeyARKYSPVTKTYNDQ-UHFFFAOYSA-N
XLogP3.36
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116742284
2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116741876
1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 116742976
1-cyclopropyl-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116741417
(1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915562
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116742385
5-(azetidin-3-ylmethyl)-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazole
CID 116742954
2-[[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 116742983
N-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116742591
4-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527106
2-[[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 116779644
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116775938

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine (CID 116742957) is 2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is CCOC1(c2noc(C(C)(C)NC)n2)CCC(C)(C)CC1.
What is the InChIKey of 2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
The InChIKey is ARKYSPVTKTYNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-7-20-16(10-8-14(2,3)9-11-16)12-18-13(21-19-12)15(4,5)17-6/h17H,7-11H2,1-6H3.
What are the key properties of 2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine?
2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 116742957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).