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

C13H23N3O — CID 65422874

IUPAC1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCCC1CCC(c2noc(C(C)N)n2)CC1
InChIInChI=1S/C13H23N3O/c1-3-4-10-5-7-11(8-6-10)12-15-13(9(2)14)17-16-12/h9-11H,3-8,14H2,1-2H3
InChIKeyXIVMVEKUSCPNJF-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.16
Rot. Bonds4

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

1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 65422874) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID65422874
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCCC1CCC(c2noc(C(C)N)n2)CC1
InChIInChI=1S/C13H23N3O/c1-3-4-10-5-7-11(8-6-10)12-15-13(9(2)14)17-16-12/h9-11H,3-8,14H2,1-2H3
InChIKeyXIVMVEKUSCPNJF-UHFFFAOYSA-N
XLogP3.16
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 65402819
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65423654
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
(1S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899801
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899805
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 65393257
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 65415298
(1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107144988
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65395345
(1R)-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915347
3-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65424422
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 81085874

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 65422874) is 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine is CCCC1CCC(c2noc(C(C)N)n2)CC1.
What is the InChIKey of 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is XIVMVEKUSCPNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-4-10-5-7-11(8-6-10)12-15-13(9(2)14)17-16-12/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 65422874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).