N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C17H31N3O — CID 65391541

IUPACN-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCNC(C)C(CC)c1nc(C2CCC(CC)CC2)no1
InChIInChI=1S/C17H31N3O/c1-5-13-8-10-14(11-9-13)16-19-17(21-20-16)15(6-2)12(4)18-7-3/h12-15,18H,5-11H2,1-4H3
InChIKeyCHTMXIQFJLTVHS-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.24
Rot. Bonds7

About N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 65391541) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID65391541
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCNC(C)C(CC)c1nc(C2CCC(CC)CC2)no1
InChIInChI=1S/C17H31N3O/c1-5-13-8-10-14(11-9-13)16-19-17(21-20-16)15(6-2)12(4)18-7-3/h12-15,18H,5-11H2,1-4H3
InChIKeyCHTMXIQFJLTVHS-UHFFFAOYSA-N
XLogP4.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 65391541) is N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCNC(C)C(CC)c1nc(C2CCC(CC)CC2)no1.
What is the InChIKey of N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is CHTMXIQFJLTVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-13-8-10-14(11-9-13)16-19-17(21-20-16)15(6-2)12(4)18-7-3/h12-15,18H,5-11H2,1-4H3.
What are the key properties of N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 65391541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).