2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine

C12H23NO — CID 103272933

IUPAC2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine
SMILESC/C=C/COC1(CCNCC)CCC1
InChIInChI=1S/C12H23NO/c1-3-5-11-14-12(7-6-8-12)9-10-13-4-2/h3,5,13H,4,6-11H2,1-2H3/b5-3+
InChIKeyPTVXYLLFUMKZNL-HWKANZROSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds7

About 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine

2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine (PubChem CID 103272933) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine
PubChem CID103272933
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine
SMILESC/C=C/COC1(CCNCC)CCC1
InChIInChI=1S/C12H23NO/c1-3-5-11-14-12(7-6-8-12)9-10-13-4-2/h3,5,13H,4,6-11H2,1-2H3/b5-3+
InChIKeyPTVXYLLFUMKZNL-HWKANZROSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine?
The IUPAC name of 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine (CID 103272933) is 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine.
What is the SMILES notation for 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine?
The canonical SMILES for 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine is C/C=C/COC1(CCNCC)CCC1.
What is the InChIKey of 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine?
The InChIKey is PTVXYLLFUMKZNL-HWKANZROSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-5-11-14-12(7-6-8-12)9-10-13-4-2/h3,5,13H,4,6-11H2,1-2H3/b5-3+.
What are the key properties of 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine?
2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine is sourced from PubChem (CID 103272933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).