2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine

C11H21N3O — CID 114753767

IUPAC2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine
SMILESCCCCCCc1nc(C(C)(C)N)no1
InChIInChI=1S/C11H21N3O/c1-4-5-6-7-8-9-13-10(14-15-9)11(2,3)12/h4-8,12H2,1-3H3
InChIKeyNRTQXECIMMODGO-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.39
Rot. Bonds6

About 2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine

2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine (PubChem CID 114753767) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine
PubChem CID114753767
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine
SMILESCCCCCCc1nc(C(C)(C)N)no1
InChIInChI=1S/C11H21N3O/c1-4-5-6-7-8-9-13-10(14-15-9)11(2,3)12/h4-8,12H2,1-3H3
InChIKeyNRTQXECIMMODGO-UHFFFAOYSA-N
XLogP2.39
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The IUPAC name of 2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine (CID 114753767) is 2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine is CCCCCCc1nc(C(C)(C)N)no1.
What is the InChIKey of 2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The InChIKey is NRTQXECIMMODGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-6-7-8-9-13-10(14-15-9)11(2,3)12/h4-8,12H2,1-3H3.
What are the key properties of 2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine?
2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hexyl-1,2,4-oxadiazol-3-yl)propan-2-amine is sourced from PubChem (CID 114753767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).