1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine

C8H15N3O — CID 64671837

IUPAC1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine
SMILESCCc1noc(CC(C)(C)N)n1
InChIInChI=1S/C8H15N3O/c1-4-6-10-7(12-11-6)5-8(2,3)9/h4-5,9H2,1-3H3
InChIKeyPRMIIKHWHBSIBM-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.91
Rot. Bonds3

About 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine

1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine (PubChem CID 64671837) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine
PubChem CID64671837
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine
SMILESCCc1noc(CC(C)(C)N)n1
InChIInChI=1S/C8H15N3O/c1-4-6-10-7(12-11-6)5-8(2,3)9/h4-5,9H2,1-3H3
InChIKeyPRMIIKHWHBSIBM-UHFFFAOYSA-N
XLogP0.91
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine (CID 64671837) is 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine is CCc1noc(CC(C)(C)N)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine?
The InChIKey is PRMIIKHWHBSIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-6-10-7(12-11-6)5-8(2,3)9/h4-5,9H2,1-3H3.
What are the key properties of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine?
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine has a molecular weight of 169.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 64671837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).