1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine

C12H21N3O — CID 62164606

IUPAC1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nnc(CCC2CCCC2)o1
InChIInChI=1S/C12H21N3O/c1-9(13-2)12-15-14-11(16-12)8-7-10-5-3-4-6-10/h9-10,13H,3-8H2,1-2H3
InChIKeyVEDQXVLWBJAMBE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.47
Rot. Bonds5

About 1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine

1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (PubChem CID 62164606) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
PubChem CID62164606
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nnc(CCC2CCCC2)o1
InChIInChI=1S/C12H21N3O/c1-9(13-2)12-15-14-11(16-12)8-7-10-5-3-4-6-10/h9-10,13H,3-8H2,1-2H3
InChIKeyVEDQXVLWBJAMBE-UHFFFAOYSA-N
XLogP2.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (CID 62164606) is 1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is CNC(C)c1nnc(CCC2CCCC2)o1.
What is the InChIKey of 1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The InChIKey is VEDQXVLWBJAMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(13-2)12-15-14-11(16-12)8-7-10-5-3-4-6-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 62164606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).