1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine

C15H27N3O2 — CID 116741965

IUPAC1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
SMILESCCOC1(c2noc(C(N)CC(C)C)n2)CCCCC1
InChIInChI=1S/C15H27N3O2/c1-4-19-15(8-6-5-7-9-15)14-17-13(20-18-14)12(16)10-11(2)3/h11-12H,4-10,16H2,1-3H3
InChIKeyMRACMASQCAVMIG-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.31
Rot. Bonds6

About 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine

1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine (PubChem CID 116741965) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
PubChem CID116741965
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
SMILESCCOC1(c2noc(C(N)CC(C)C)n2)CCCCC1
InChIInChI=1S/C15H27N3O2/c1-4-19-15(8-6-5-7-9-15)14-17-13(20-18-14)12(16)10-11(2)3/h11-12H,4-10,16H2,1-3H3
InChIKeyMRACMASQCAVMIG-UHFFFAOYSA-N
XLogP3.31
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine (CID 116741965) is 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine is CCOC1(c2noc(C(N)CC(C)C)n2)CCCCC1.
What is the InChIKey of 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
The InChIKey is MRACMASQCAVMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-19-15(8-6-5-7-9-15)14-17-13(20-18-14)12(16)10-11(2)3/h11-12H,4-10,16H2,1-3H3.
What are the key properties of 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine?
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 116741965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).