2-but-3-enoxy-3-methoxy-N-propylpropan-1-amine

C11H23NO2 — CID 103227723

IUPAC2-but-3-enoxy-3-methoxy-N-propylpropan-1-amine
SMILESC=CCCOC(CNCCC)COC
InChIInChI=1S/C11H23NO2/c1-4-6-8-14-11(10-13-3)9-12-7-5-2/h4,11-12H,1,5-10H2,2-3H3
InChIKeyWFHXEUAVPUNTKY-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.59
Rot. Bonds10

About 2-but-3-enoxy-3-methoxy-N-propylpropan-1-amine

2-but-3-enoxy-3-methoxy-N-propylpropan-1-amine (PubChem CID 103227723) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-but-3-enoxy-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-but-3-enoxy-3-methoxy-N-propylpropan-1-amine
PubChem CID103227723
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-but-3-enoxy-3-methoxy-N-propylpropan-1-amine
SMILESC=CCCOC(CNCCC)COC
InChIInChI=1S/C11H23NO2/c1-4-6-8-14-11(10-13-3)9-12-7-5-2/h4,11-12H,1,5-10H2,2-3H3
InChIKeyWFHXEUAVPUNTKY-UHFFFAOYSA-N
XLogP1.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.59
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-(2,2,2-trifluoroethyl)propan-1-amine
CID 62599036
2-ethoxy-N-ethylpent-4-en-1-amine
CID 19107607
(E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine
CID 22094762
N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine
CID 73864940
N-(2-but-3-enoxyethyl)-2-propoxyethanamine
CID 106401975
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
2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane
CID 145018893
2-Prop-2-enyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 145850424
2-[2-[(2R)-pent-4-en-2-yl]oxyethylamino]ethanol
CID 163706315
(3R,4S)-3-but-3-enoxy-4-methoxypiperidine
CID 170563826
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-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 2-but-3-enoxy-3-methoxy-N-propylpropan-1-amine (CID 103227723) is 2-but-3-enoxy-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 2-but-3-enoxy-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 2-but-3-enoxy-3-methoxy-N-propylpropan-1-amine is C=CCCOC(CNCCC)COC.
What is the InChIKey of 2-but-3-enoxy-3-methoxy-N-propylpropan-1-amine?
The InChIKey is WFHXEUAVPUNTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-6-8-14-11(10-13-3)9-12-7-5-2/h4,11-12H,1,5-10H2,2-3H3.
What are the key properties of 2-but-3-enoxy-3-methoxy-N-propylpropan-1-amine?
2-but-3-enoxy-3-methoxy-N-propylpropan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-3-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 103227723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).