2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine

C8H15N3O — CID 62070943

IUPAC2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCC(C)c1nnc(CCN)o1
InChIInChI=1S/C8H15N3O/c1-3-6(2)8-11-10-7(12-8)4-5-9/h6H,3-5,9H2,1-2H3
InChIKeyCTRACRMVHSZMGP-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.08
Rot. Bonds4

About 2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine

2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 62070943) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID62070943
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCC(C)c1nnc(CCN)o1
InChIInChI=1S/C8H15N3O/c1-3-6(2)8-11-10-7(12-8)4-5-9/h6H,3-5,9H2,1-2H3
InChIKeyCTRACRMVHSZMGP-UHFFFAOYSA-N
XLogP1.08
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine (CID 62070943) is 2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine is CCC(C)c1nnc(CCN)o1.
What is the InChIKey of 2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is CTRACRMVHSZMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-6(2)8-11-10-7(12-8)4-5-9/h6H,3-5,9H2,1-2H3.
What are the key properties of 2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 169.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butan-2-yl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 62070943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).