2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

C9H17N3O2 — CID 106398905

IUPAC2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESCCCCOCCNCc1ncon1
InChIInChI=1S/C9H17N3O2/c1-2-3-5-13-6-4-10-7-9-11-8-14-12-9/h8,10H,2-7H2,1H3
InChIKeyPJLFGFBNTBLWAT-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.98
Rot. Bonds8

About 2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (PubChem CID 106398905) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
PubChem CID106398905
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESCCCCOCCNCc1ncon1
InChIInChI=1S/C9H17N3O2/c1-2-3-5-13-6-4-10-7-9-11-8-14-12-9/h8,10H,2-7H2,1H3
InChIKeyPJLFGFBNTBLWAT-UHFFFAOYSA-N
XLogP0.98
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.98
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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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine
CID 106398904
N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106401056
3-ethylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)propan-1-amine
CID 106394094
2-[2-(2-butoxyethoxy)ethoxy]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 104562071
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]dodecan-1-amine
CID 106400725
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 106399365
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 104562263
5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine
CID 102536146
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 61168934

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The IUPAC name of 2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (CID 106398905) is 2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The canonical SMILES for 2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is CCCCOCCNCc1ncon1.
What is the InChIKey of 2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The InChIKey is PJLFGFBNTBLWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-3-5-13-6-4-10-7-9-11-8-14-12-9/h8,10H,2-7H2,1H3.
What are the key properties of 2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine has a molecular weight of 199.25 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 106398905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).