2-[1-[(E)-but-2-enoxy]cyclobutyl]ethanamine

C10H19NO — CID 103272930

IUPAC2-[1-[(E)-but-2-enoxy]cyclobutyl]ethanamine
SMILESC/C=C/COC1(CCN)CCC1
InChIInChI=1S/C10H19NO/c1-2-3-9-12-10(7-8-11)5-4-6-10/h2-3H,4-9,11H2,1H3/b3-2+
InChIKeyWFXKDMKIPNZPPT-NSCUHMNNSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds5

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

2-[1-[(E)-but-2-enoxy]cyclobutyl]ethanamine (PubChem CID 103272930) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[1-[(E)-but-2-enoxy]cyclobutyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(E)-but-2-enoxy]cyclobutyl]ethanamine
PubChem CID103272930
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[1-[(E)-but-2-enoxy]cyclobutyl]ethanamine
SMILESC/C=C/COC1(CCN)CCC1
InChIInChI=1S/C10H19NO/c1-2-3-9-12-10(7-8-11)5-4-6-10/h2-3H,4-9,11H2,1H3/b3-2+
InChIKeyWFXKDMKIPNZPPT-NSCUHMNNSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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]ethanamine?
The IUPAC name of 2-[1-[(E)-but-2-enoxy]cyclobutyl]ethanamine (CID 103272930) is 2-[1-[(E)-but-2-enoxy]cyclobutyl]ethanamine.
What is the SMILES notation for 2-[1-[(E)-but-2-enoxy]cyclobutyl]ethanamine?
The canonical SMILES for 2-[1-[(E)-but-2-enoxy]cyclobutyl]ethanamine is C/C=C/COC1(CCN)CCC1.
What is the InChIKey of 2-[1-[(E)-but-2-enoxy]cyclobutyl]ethanamine?
The InChIKey is WFXKDMKIPNZPPT-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-9-12-10(7-8-11)5-4-6-10/h2-3H,4-9,11H2,1H3/b3-2+.
What are the key properties of 2-[1-[(E)-but-2-enoxy]cyclobutyl]ethanamine?
2-[1-[(E)-but-2-enoxy]cyclobutyl]ethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 5 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]ethanamine is sourced from PubChem (CID 103272930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).