5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine

C11H20N4O — CID 116808240

IUPAC5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(C2CCCCCN2)n1
InChIInChI=1S/C11H20N4O/c1-3-15(2)11-13-10(16-14-11)9-7-5-4-6-8-12-9/h9,12H,3-8H2,1-2H3
InChIKeyVKUZKQYAMGXMIY-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.73
Rot. Bonds3

About 5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine

5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine (PubChem CID 116808240) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
PubChem CID116808240
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(C2CCCCCN2)n1
InChIInChI=1S/C11H20N4O/c1-3-15(2)11-13-10(16-14-11)9-7-5-4-6-8-12-9/h9,12H,3-8H2,1-2H3
InChIKeyVKUZKQYAMGXMIY-UHFFFAOYSA-N
XLogP1.73
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine (CID 116808240) is 5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine is CCN(C)c1noc(C2CCCCCN2)n1.
What is the InChIKey of 5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The InChIKey is VKUZKQYAMGXMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-15(2)11-13-10(16-14-11)9-7-5-4-6-8-12-9/h9,12H,3-8H2,1-2H3.
What are the key properties of 5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine has a molecular weight of 224.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116808240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).