2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine

C8H15N3O — CID 106393751

IUPAC2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine
SMILESCCC(C)CNCc1ncon1
InChIInChI=1S/C8H15N3O/c1-3-7(2)4-9-5-8-10-6-12-11-8/h6-7,9H,3-5H2,1-2H3
InChIKeyZUWJWSXRSMLRTN-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.21
Rot. Bonds5

About 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine

2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine (PubChem CID 106393751) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine
PubChem CID106393751
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine
SMILESCCC(C)CNCc1ncon1
InChIInChI=1S/C8H15N3O/c1-3-7(2)4-9-5-8-10-6-12-11-8/h6-7,9H,3-5H2,1-2H3
InChIKeyZUWJWSXRSMLRTN-UHFFFAOYSA-N
XLogP1.21
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine?
The IUPAC name of 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine (CID 106393751) is 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine is CCC(C)CNCc1ncon1.
What is the InChIKey of 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine?
The InChIKey is ZUWJWSXRSMLRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-7(2)4-9-5-8-10-6-12-11-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine?
2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 106393751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).