2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine

C11H19N3O — CID 106828748

IUPAC2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC1(c2nc(CCN)no2)CCCCC1
InChIInChI=1S/C11H19N3O/c1-11(6-3-2-4-7-11)10-13-9(5-8-12)14-15-10/h2-8,12H2,1H3
InChIKeyVNQNYJMDUDXPGB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.79
Rot. Bonds3

About 2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine

2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 106828748) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID106828748
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC1(c2nc(CCN)no2)CCCCC1
InChIInChI=1S/C11H19N3O/c1-11(6-3-2-4-7-11)10-13-9(5-8-12)14-15-10/h2-8,12H2,1H3
InChIKeyVNQNYJMDUDXPGB-UHFFFAOYSA-N
XLogP1.79
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 106828749
[5-(4-methylthian-4-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 115028455
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 106828746
[1-(3-propyl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436510
2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 131154498
1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 79404339
3-(1-chloropropyl)-5-(1-methylcyclohexyl)-1,2,4-oxadiazole
CID 106827745
2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115015955
5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 63138132
3-(1-chloroethyl)-5-(1-methylcyclopentyl)-1,2,4-oxadiazole
CID 102661074
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 106828772
4-ethyl-1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 106828747

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 106828748) is 2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine is CC1(c2nc(CCN)no2)CCCCC1.
What is the InChIKey of 2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is VNQNYJMDUDXPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(6-3-2-4-7-11)10-13-9(5-8-12)14-15-10/h2-8,12H2,1H3.
What are the key properties of 2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 106828748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).