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

C12H23N3O — CID 63890830

IUPAC5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(C)(C)Cc1noc(CCCCCN)n1
InChIInChI=1S/C12H23N3O/c1-12(2,3)9-10-14-11(16-15-10)7-5-4-6-8-13/h4-9,13H2,1-3H3
InChIKeyLUAIOCFLZUMVJS-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.33
Rot. Bonds6

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

5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 63890830) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID63890830
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(C)(C)Cc1noc(CCCCCN)n1
InChIInChI=1S/C12H23N3O/c1-12(2,3)9-10-14-11(16-15-10)7-5-4-6-8-13/h4-9,13H2,1-3H3
InChIKeyLUAIOCFLZUMVJS-UHFFFAOYSA-N
XLogP2.33
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.33
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-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 63890830) is 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CC(C)(C)Cc1noc(CCCCCN)n1.
What is the InChIKey of 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is LUAIOCFLZUMVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,3)9-10-14-11(16-15-10)7-5-4-6-8-13/h4-9,13H2,1-3H3.
What are the key properties of 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 63890830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).