2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine

C16H27N3O — CID 83213717

IUPAC2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
SMILESCCC1CCC(c2noc(C3(C)CCCCC3N)n2)C1
InChIInChI=1S/C16H27N3O/c1-3-11-7-8-12(10-11)14-18-15(20-19-14)16(2)9-5-4-6-13(16)17/h11-13H,3-10,17H2,1-2H3
InChIKeyJMESPWGKVPUYSX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.52
Rot. Bonds3

About 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine

2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine (PubChem CID 83213717) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
PubChem CID83213717
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
SMILESCCC1CCC(c2noc(C3(C)CCCCC3N)n2)C1
InChIInChI=1S/C16H27N3O/c1-3-11-7-8-12(10-11)14-18-15(20-19-14)16(2)9-5-4-6-13(16)17/h11-13H,3-10,17H2,1-2H3
InChIKeyJMESPWGKVPUYSX-UHFFFAOYSA-N
XLogP3.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine?
The IUPAC name of 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine (CID 83213717) is 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine?
The canonical SMILES for 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine is CCC1CCC(c2noc(C3(C)CCCCC3N)n2)C1.
What is the InChIKey of 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine?
The InChIKey is JMESPWGKVPUYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-11-7-8-12(10-11)14-18-15(20-19-14)16(2)9-5-4-6-13(16)17/h11-13H,3-10,17H2,1-2H3.
What are the key properties of 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine?
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 83213717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).