2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine

C12H25NO2 — CID 106401437

IUPAC2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
SMILESC=CCCOCCNCCOC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-5-6-9-14-10-7-13-8-11-15-12(2,3)4/h5,13H,1,6-11H2,2-4H3
InChIKeyYPYREBPGQOHZQO-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.98
Rot. Bonds9

About 2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine

2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine (PubChem CID 106401437) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
PubChem CID106401437
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
SMILESC=CCCOCCNCCOC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-5-6-9-14-10-7-13-8-11-15-12(2,3)4/h5,13H,1,6-11H2,2-4H3
InChIKeyYPYREBPGQOHZQO-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-but-3-enoxy-N-(2-fluoroethyl)ethanamine
CID 106401403
2-ethoxy-N-ethylpent-4-en-1-amine
CID 19107607
N-(2-but-3-enoxyethyl)-2-propoxyethanamine
CID 106401975
2-hepta-1,6-dien-4-yloxy-N-(2-hepta-1,6-dien-4-yloxyethyl)ethanamine
CID 118871059
2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine
CID 121299844
N-(2-hepta-1,6-dien-4-yloxyethyl)propan-1-amine
CID 138465335
3-but-3-enoxy-N-(2-ethoxyethyl)butan-1-amine
CID 139417949
ethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene
CID 143227142
2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane
CID 145018893
2-[2-[(2R)-pent-4-en-2-yl]oxyethylamino]ethanol
CID 163706315
cesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene
CID 163719090
N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 171646718

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The IUPAC name of 2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine (CID 106401437) is 2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine is C=CCCOCCNCCOC(C)(C)C.
What is the InChIKey of 2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The InChIKey is YPYREBPGQOHZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-6-9-14-10-7-13-8-11-15-12(2,3)4/h5,13H,1,6-11H2,2-4H3.
What are the key properties of 2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine has a molecular weight of 215.34 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine is sourced from PubChem (CID 106401437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).