2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine

C12H23NO2 — CID 121299844

IUPAC2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine
SMILESCCC=COCCNCCOC=CCC
InChIInChI=1S/C12H23NO2/c1-3-5-9-14-11-7-13-8-12-15-10-6-4-2/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3
InChIKeyLZSRYKFJBOTJNL-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.46
Rot. Bonds10

About 2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine

2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine (PubChem CID 121299844) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine.

Molecular Properties

Compound Name2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine
PubChem CID121299844
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine
SMILESCCC=COCCNCCOC=CCC
InChIInChI=1S/C12H23NO2/c1-3-5-9-14-11-7-13-8-12-15-10-6-4-2/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3
InChIKeyLZSRYKFJBOTJNL-UHFFFAOYSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine?
The IUPAC name of 2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine (CID 121299844) is 2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine.
What is the SMILES notation for 2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine?
The canonical SMILES for 2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine is CCC=COCCNCCOC=CCC.
What is the InChIKey of 2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine?
The InChIKey is LZSRYKFJBOTJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-9-14-11-7-13-8-12-15-10-6-4-2/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine?
2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine has a molecular weight of 213.32 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine is sourced from PubChem (CID 121299844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).