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

C16H33NO4 — CID 106401441

IUPAC2-but-3-enoxy-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]ethanamine
SMILESC=CCCOCCNCCOCCOCCOCCCC
InChIInChI=1S/C16H33NO4/c1-3-5-9-18-11-7-17-8-12-20-14-16-21-15-13-19-10-6-4-2/h3,17H,1,4-16H2,2H3
InChIKeyZFWZDBMZRQAJBO-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.02
Rot. Bonds18

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

2-but-3-enoxy-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]ethanamine (PubChem CID 106401441) has the molecular formula C16H33NO4 and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-but-3-enoxy-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]ethanamine
PubChem CID106401441
Molecular FormulaC16H33NO4
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC Name2-but-3-enoxy-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]ethanamine
SMILESC=CCCOCCNCCOCCOCCOCCCC
InChIInChI=1S/C16H33NO4/c1-3-5-9-18-11-7-17-8-12-20-14-16-21-15-13-19-10-6-4-2/h3,17H,1,4-16H2,2H3
InChIKeyZFWZDBMZRQAJBO-UHFFFAOYSA-N
XLogP2.02
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.02
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

N-(2-but-3-enoxyethyl)-2-propoxyethanamine
CID 106401975
ethane;N-methyl-2-[2-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 142382423
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
N-methyl-2-[2-[2-(2-pent-4-enoxyethoxy)ethylamino]ethoxy]ethanamine
CID 146535773
2-[2-[2-[2-[2-(2-But-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 153358478
2-(3-methylbut-3-enoxy)-N-[2-(2-propoxyethoxy)ethyl]ethanamine
CID 153377293
N-methyl-2-[2-[2-[2-(3-methylidenepent-4-enoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 166461695
ethane;4-ethoxybut-1-ene;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-N-[2-(2-ethoxyethoxy)ethyl]-2-propoxyethanamine;propane
CID 168986436
N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 171646718
2-but-3-enoxy-N-ethylethanamine
CID 62441690
N-(2-but-3-enoxyethyl)-2-methoxyethanamine
CID 62597145

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]ethanamine?
The IUPAC name of 2-but-3-enoxy-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]ethanamine (CID 106401441) is 2-but-3-enoxy-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]ethanamine is C=CCCOCCNCCOCCOCCOCCCC.
What is the InChIKey of 2-but-3-enoxy-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]ethanamine?
The InChIKey is ZFWZDBMZRQAJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4/c1-3-5-9-18-11-7-17-8-12-20-14-16-21-15-13-19-10-6-4-2/h3,17H,1,4-16H2,2H3.
What are the key properties of 2-but-3-enoxy-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]ethanamine?
2-but-3-enoxy-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]ethanamine has a molecular weight of 303.44 g/mol, XLogP of 2.02, 18 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-butoxyethoxy)ethoxy]ethyl]ethanamine is sourced from PubChem (CID 106401441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).