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

C15H27N3O — CID 65391147

IUPAC3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
SMILESCCC1CCC(c2noc(C(C)C(C)NC)n2)CC1
InChIInChI=1S/C15H27N3O/c1-5-12-6-8-13(9-7-12)14-17-15(19-18-14)10(2)11(3)16-4/h10-13,16H,5-9H2,1-4H3
InChIKeyIQKGHDGTLSEDDU-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.46
Rot. Bonds5

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

3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine (PubChem CID 65391147) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
PubChem CID65391147
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
SMILESCCC1CCC(c2noc(C(C)C(C)NC)n2)CC1
InChIInChI=1S/C15H27N3O/c1-5-12-6-8-13(9-7-12)14-17-15(19-18-14)10(2)11(3)16-4/h10-13,16H,5-9H2,1-4H3
InChIKeyIQKGHDGTLSEDDU-UHFFFAOYSA-N
XLogP3.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The IUPAC name of 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine (CID 65391147) is 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine.
What is the SMILES notation for 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The canonical SMILES for 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine is CCC1CCC(c2noc(C(C)C(C)NC)n2)CC1.
What is the InChIKey of 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
The InChIKey is IQKGHDGTLSEDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-12-6-8-13(9-7-12)14-17-15(19-18-14)10(2)11(3)16-4/h10-13,16H,5-9H2,1-4H3.
What are the key properties of 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine?
3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine is sourced from PubChem (CID 65391147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).