N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine

C8H15N3O — CID 60720687

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine
SMILESCCCCNCc1nc(C)no1
InChIInChI=1S/C8H15N3O/c1-3-4-5-9-6-8-10-7(2)11-12-8/h9H,3-6H2,1-2H3
InChIKeyLOOYNIQZIHGAPH-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.27
Rot. Bonds5

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine (PubChem CID 60720687) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine
PubChem CID60720687
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine
SMILESCCCCNCc1nc(C)no1
InChIInChI=1S/C8H15N3O/c1-3-4-5-9-6-8-10-7(2)11-12-8/h9H,3-6H2,1-2H3
InChIKeyLOOYNIQZIHGAPH-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
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 N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine (CID 60720687) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine is CCCCNCc1nc(C)no1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine?
The InChIKey is LOOYNIQZIHGAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-4-5-9-6-8-10-7(2)11-12-8/h9H,3-6H2,1-2H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 60720687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).