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

C12H21N3O — CID 61336068

IUPAC2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(CCC2CCCCC2)n1
InChIInChI=1S/C12H21N3O/c13-9-8-11-14-12(16-15-11)7-6-10-4-2-1-3-5-10/h10H,1-9,13H2
InChIKeySUNKUBQOBUBCNA-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.08
Rot. Bonds5

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

2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 61336068) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID61336068
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(CCC2CCCCC2)n1
InChIInChI=1S/C12H21N3O/c13-9-8-11-14-12(16-15-11)7-6-10-4-2-1-3-5-10/h10H,1-9,13H2
InChIKeySUNKUBQOBUBCNA-UHFFFAOYSA-N
XLogP2.08
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660427
[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326432
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride
CID 120751614
2-[5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115079506
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353306
5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole
CID 131086308
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
2-[3-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081479
2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 174282518
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 61351745
5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436910
3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 62691493

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 61336068) is 2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine is NCCc1noc(CCC2CCCCC2)n1.
What is the InChIKey of 2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is SUNKUBQOBUBCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c13-9-8-11-14-12(16-15-11)7-6-10-4-2-1-3-5-10/h10H,1-9,13H2.
What are the key properties of 2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 61336068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).