1-ethoxyethylideneazanium

C4H10NO+ — CID 25201841

IUPAC1-ethoxyethylideneazanium
SMILESCCOC(C)=[NH2+]
InChIInChI=1S/C4H9NO/c1-3-6-4(2)5/h5H,3H2,1-2H3/p+1
InChIKeyJMIAPORGEDIDLT-UHFFFAOYSA-O
MW88.13 g/mol
LogP-0.80
Rot. Bonds1

About 1-ethoxyethylideneazanium

1-ethoxyethylideneazanium (PubChem CID 25201841) has the molecular formula C4H10NO+ and a molecular weight of 88.13 g/mol. Its IUPAC name is 1-ethoxyethylideneazanium.

Molecular Properties

Compound Name1-ethoxyethylideneazanium
PubChem CID25201841
Molecular FormulaC4H10NO+
Molecular Weight88.13 g/mol
Exact Mass88.08
IUPAC Name1-ethoxyethylideneazanium
SMILESCCOC(C)=[NH2+]
InChIInChI=1S/C4H9NO/c1-3-6-4(2)5/h5H,3H2,1-2H3/p+1
InChIKeyJMIAPORGEDIDLT-UHFFFAOYSA-O
XLogP-0.80
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.13
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethylideneazanium?
The IUPAC name of 1-ethoxyethylideneazanium (CID 25201841) is 1-ethoxyethylideneazanium.
What is the SMILES notation for 1-ethoxyethylideneazanium?
The canonical SMILES for 1-ethoxyethylideneazanium is CCOC(C)=[NH2+].
What is the InChIKey of 1-ethoxyethylideneazanium?
The InChIKey is JMIAPORGEDIDLT-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9NO/c1-3-6-4(2)5/h5H,3H2,1-2H3/p+1.
What are the key properties of 1-ethoxyethylideneazanium?
1-ethoxyethylideneazanium has a molecular weight of 88.13 g/mol, XLogP of -0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethylideneazanium is sourced from PubChem (CID 25201841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).