5-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine

C11H22N4O — CID 16768299

IUPAC5-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCN(C)CCc1noc(CCCCCN)n1
InChIInChI=1S/C11H22N4O/c1-15(2)9-7-10-13-11(16-14-10)6-4-3-5-8-12/h3-9,12H2,1-2H3
InChIKeyTUTOTTFEIGAZRG-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.85
Rot. Bonds8

About 5-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine

5-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 16768299) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID16768299
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name5-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCN(C)CCc1noc(CCCCCN)n1
InChIInChI=1S/C11H22N4O/c1-15(2)9-7-10-13-11(16-14-10)6-4-3-5-8-12/h3-9,12H2,1-2H3
InChIKeyTUTOTTFEIGAZRG-UHFFFAOYSA-N
XLogP0.85
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 5-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 16768299) is 5-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 5-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 5-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine is CN(C)CCc1noc(CCCCCN)n1.
What is the InChIKey of 5-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is TUTOTTFEIGAZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-15(2)9-7-10-13-11(16-14-10)6-4-3-5-8-12/h3-9,12H2,1-2H3.
What are the key properties of 5-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine?
5-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 16768299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).