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

C12H21N3O — CID 62069552

IUPAC1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(CCC2CCCCC2)o1
InChIInChI=1S/C12H21N3O/c1-9(13)12-15-14-11(16-12)8-7-10-5-3-2-4-6-10/h9-10H,2-8,13H2,1H3
InChIKeyWBIIZSZCPCHPRK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.60
Rot. Bonds4

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

1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62069552) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62069552
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(CCC2CCCCC2)o1
InChIInChI=1S/C12H21N3O/c1-9(13)12-15-14-11(16-12)8-7-10-5-3-2-4-6-10/h9-10H,2-8,13H2,1H3
InChIKeyWBIIZSZCPCHPRK-UHFFFAOYSA-N
XLogP2.60
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62069552) is 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(N)c1nnc(CCC2CCCCC2)o1.
What is the InChIKey of 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is WBIIZSZCPCHPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(13)12-15-14-11(16-12)8-7-10-5-3-2-4-6-10/h9-10H,2-8,13H2,1H3.
What are the key properties of 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62069552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).