2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine

C11H23NO2 — CID 102641676

IUPAC2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CNCCOC)COCC
InChIInChI=1S/C11H23NO2/c1-5-11(3,10-14-6-2)9-12-7-8-13-4/h5,12H,1,6-10H2,2-4H3
InChIKeyFXEGZZBVHGTYIF-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.45
Rot. Bonds9

About 2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine

2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine (PubChem CID 102641676) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
PubChem CID102641676
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CNCCOC)COCC
InChIInChI=1S/C11H23NO2/c1-5-11(3,10-14-6-2)9-12-7-8-13-4/h5,12H,1,6-10H2,2-4H3
InChIKeyFXEGZZBVHGTYIF-UHFFFAOYSA-N
XLogP1.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.45
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

N-(2-methoxyethyl)-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
CID 113867470
N-(2-but-3-enoxyethyl)-2-propoxyethanamine
CID 106401975
3-but-3-enoxy-N-(2-ethoxyethyl)butan-1-amine
CID 139417949
3-but-3-enoxy-N-ethylpropan-1-amine
CID 62440752
2-but-3-enoxy-N-propylpropan-1-amine
CID 62441682
N-(2-but-3-enoxypropyl)-2-methylpropan-1-amine
CID 62441686
2-but-3-enoxy-N-ethylethanamine
CID 62441690
N-(2-but-3-enoxyethyl)propan-1-amine
CID 62441691
2-but-3-enoxy-N-ethylpropan-1-amine
CID 62442676
N-(2-but-3-enoxyethyl)-2-methylpropan-2-amine
CID 62442684
N-(2-but-3-enoxyethyl)-2-methylpropan-1-amine
CID 62442685
3-but-3-enoxy-N-propylpropan-1-amine
CID 62442851

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine?
The IUPAC name of 2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine (CID 102641676) is 2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine is C=CC(C)(CNCCOC)COCC.
What is the InChIKey of 2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine?
The InChIKey is FXEGZZBVHGTYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-11(3,10-14-6-2)9-12-7-8-13-4/h5,12H,1,6-10H2,2-4H3.
What are the key properties of 2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine?
2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102641676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).