2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine

C13H27NO4 — CID 106401632

IUPAC2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
SMILESC=CCCOCCNCCOCCOCCOC
InChIInChI=1S/C13H27NO4/c1-3-4-7-16-8-5-14-6-9-17-12-13-18-11-10-15-2/h3,14H,1,4-13H2,2H3
InChIKeyZBOWIDRSLIVDJR-UHFFFAOYSA-N
MW261.36 g/mol
LogP0.85
Rot. Bonds15

About 2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine

2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine (PubChem CID 106401632) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
PubChem CID106401632
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
SMILESC=CCCOCCNCCOCCOCCOC
InChIInChI=1S/C13H27NO4/c1-3-4-7-16-8-5-14-6-9-17-12-13-18-11-10-15-2/h3,14H,1,4-13H2,2H3
InChIKeyZBOWIDRSLIVDJR-UHFFFAOYSA-N
XLogP0.85
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
(E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine
CID 22094762
2-(2-prop-2-enoxyethoxy)-N-[2-(2-prop-2-enoxyethoxy)ethyl]ethanamine
CID 53686082
(E)-N,N'-bis[2-(2-methoxyethoxy)ethyl]but-2-ene-1,4-diamine
CID 59520542
N-[2-(2-Ethoxyethoxy)ethyl]-2-propen-1-amine
CID 62565966
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
2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine
CID 121299844
N-methyl-2-(2-prop-1-enoxyethoxy)ethanamine
CID 141058697
ethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene
CID 143227142
2-[2-(2-But-3-enoxyethoxy)ethoxy]ethanamine
CID 144025571
2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane
CID 145018893

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine?
The IUPAC name of 2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine (CID 106401632) is 2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine is C=CCCOCCNCCOCCOCCOC.
What is the InChIKey of 2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine?
The InChIKey is ZBOWIDRSLIVDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-3-4-7-16-8-5-14-6-9-17-12-13-18-11-10-15-2/h3,14H,1,4-13H2,2H3.
What are the key properties of 2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine?
2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine has a molecular weight of 261.36 g/mol, XLogP of 0.85, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine is sourced from PubChem (CID 106401632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).