2-butoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C10H19N3O2 — CID 61483150

IUPAC2-butoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCCCOCCNCc1nc(C)no1
InChIInChI=1S/C10H19N3O2/c1-3-4-6-14-7-5-11-8-10-12-9(2)13-15-10/h11H,3-8H2,1-2H3
InChIKeyHSNXLEGERCWPSN-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.28
Rot. Bonds8

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

2-butoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 61483150) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-butoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID61483150
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-butoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCCCOCCNCc1nc(C)no1
InChIInChI=1S/C10H19N3O2/c1-3-4-6-14-7-5-11-8-10-12-9(2)13-15-10/h11H,3-8H2,1-2H3
InChIKeyHSNXLEGERCWPSN-UHFFFAOYSA-N
XLogP1.28
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-butoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-butoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 61483150) is 2-butoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CCCCOCCNCc1nc(C)no1.
What is the InChIKey of 2-butoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is HSNXLEGERCWPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-4-6-14-7-5-11-8-10-12-9(2)13-15-10/h11H,3-8H2,1-2H3.
What are the key properties of 2-butoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
2-butoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 213.28 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 61483150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).