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

C9H19NO2 — CID 103227730

IUPAC2-but-3-enoxy-3-methoxy-N-methylpropan-1-amine
SMILESC=CCCOC(CNC)COC
InChIInChI=1S/C9H19NO2/c1-4-5-6-12-9(7-10-2)8-11-3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyXHGSXHRVGBDHIH-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.81
Rot. Bonds8

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

2-but-3-enoxy-3-methoxy-N-methylpropan-1-amine (PubChem CID 103227730) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-but-3-enoxy-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-but-3-enoxy-3-methoxy-N-methylpropan-1-amine
PubChem CID103227730
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-but-3-enoxy-3-methoxy-N-methylpropan-1-amine
SMILESC=CCCOC(CNC)COC
InChIInChI=1S/C9H19NO2/c1-4-5-6-12-9(7-10-2)8-11-3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyXHGSXHRVGBDHIH-UHFFFAOYSA-N
XLogP0.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.81
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-ethoxy-N-ethylpent-4-en-1-amine
CID 19107607
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
ethane;2-(2-ethoxyethoxy)propane;N-methylbut-3-en-1-amine
CID 177991469
2-but-3-enoxy-N-propylpropan-1-amine
CID 62441682
2-but-3-enoxy-N-propan-2-ylpropan-1-amine
CID 62441683
N-(2-but-3-enoxypropyl)-2-methylpropan-1-amine
CID 62441686
N-(2-but-3-enoxyethyl)propan-1-amine
CID 62441691
2-but-3-enoxy-N-methylpropan-1-amine
CID 62442675

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of 2-but-3-enoxy-3-methoxy-N-methylpropan-1-amine (CID 103227730) is 2-but-3-enoxy-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 2-but-3-enoxy-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 2-but-3-enoxy-3-methoxy-N-methylpropan-1-amine is C=CCCOC(CNC)COC.
What is the InChIKey of 2-but-3-enoxy-3-methoxy-N-methylpropan-1-amine?
The InChIKey is XHGSXHRVGBDHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-5-6-12-9(7-10-2)8-11-3/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 2-but-3-enoxy-3-methoxy-N-methylpropan-1-amine?
2-but-3-enoxy-3-methoxy-N-methylpropan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 0.81, 8 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-methylpropan-1-amine is sourced from PubChem (CID 103227730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).