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

C11H21N3O2 — CID 106814599

IUPACN-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCCc1noc(CNCC(C)C)n1
InChIInChI=1S/C11H21N3O2/c1-4-15-6-5-10-13-11(16-14-10)8-12-7-9(2)3/h9,12H,4-8H2,1-3H3
InChIKeyGZAOARLUKZKZFU-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.39
Rot. Bonds8

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

N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 106814599) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID106814599
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCCc1noc(CNCC(C)C)n1
InChIInChI=1S/C11H21N3O2/c1-4-15-6-5-10-13-11(16-14-10)8-12-7-9(2)3/h9,12H,4-8H2,1-3H3
InChIKeyGZAOARLUKZKZFU-UHFFFAOYSA-N
XLogP1.39
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.39
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

2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 63065067
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 106814715
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 64539019
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814794
N-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116703299
N-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116702156
4-chloro-N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 106814591
ethyl 5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631734
[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660353
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 106815759
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814728

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 106814599) is N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine is CCOCCc1noc(CNCC(C)C)n1.
What is the InChIKey of N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is GZAOARLUKZKZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-15-6-5-10-13-11(16-14-10)8-12-7-9(2)3/h9,12H,4-8H2,1-3H3.
What are the key properties of N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106814599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).