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

C8H15N3O — CID 62676276

IUPAC2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(C)c1noc(C(C)CN)n1
InChIInChI=1S/C8H15N3O/c1-5(2)7-10-8(12-11-7)6(3)4-9/h5-6H,4,9H2,1-3H3
InChIKeyLTLLRAHNHSKVKK-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.26
Rot. Bonds3

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

2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 62676276) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID62676276
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(C)c1noc(C(C)CN)n1
InChIInChI=1S/C8H15N3O/c1-5(2)7-10-8(12-11-7)6(3)4-9/h5-6H,4,9H2,1-3H3
InChIKeyLTLLRAHNHSKVKK-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 62676276) is 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is CC(C)c1noc(C(C)CN)n1.
What is the InChIKey of 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is LTLLRAHNHSKVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5(2)7-10-8(12-11-7)6(3)4-9/h5-6H,4,9H2,1-3H3.
What are the key properties of 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 62676276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).