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

C11H21N3O — CID 16767866

IUPAC5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(C)Cc1noc(CCCCCN)n1
InChIInChI=1S/C11H21N3O/c1-9(2)8-10-13-11(15-14-10)6-4-3-5-7-12/h9H,3-8,12H2,1-2H3
InChIKeyRYFFSSVPHSJFOZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.94
Rot. Bonds7

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

5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 16767866) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID16767866
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(C)Cc1noc(CCCCCN)n1
InChIInChI=1S/C11H21N3O/c1-9(2)8-10-13-11(15-14-10)6-4-3-5-7-12/h9H,3-8,12H2,1-2H3
InChIKeyRYFFSSVPHSJFOZ-UHFFFAOYSA-N
XLogP1.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 16767866) is 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CC(C)Cc1noc(CCCCCN)n1.
What is the InChIKey of 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is RYFFSSVPHSJFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)8-10-13-11(15-14-10)6-4-3-5-7-12/h9H,3-8,12H2,1-2H3.
What are the key properties of 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 16767866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).