4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium

C14H28N3O3+ — CID 59325857

IUPAC4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium
SMILESCCOCCN1CCN(CCOC)C1=[N+]1CCOCC1
InChIInChI=1S/C14H28N3O3/c1-3-19-11-7-16-5-4-15(6-10-18-2)14(16)17-8-12-20-13-9-17/h3-13H2,1-2H3/q+1
InChIKeyFQQYEJLOXKLUBK-UHFFFAOYSA-N
MW286.40 g/mol
LogP-0.31
Rot. Bonds7

About 4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium

4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium (PubChem CID 59325857) has the molecular formula C14H28N3O3+ and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium.

Molecular Properties

Compound Name4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium
PubChem CID59325857
Molecular FormulaC14H28N3O3+
Molecular Weight286.40 g/mol
Exact Mass286.21
IUPAC Name4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium
SMILESCCOCCN1CCN(CCOC)C1=[N+]1CCOCC1
InChIInChI=1S/C14H28N3O3/c1-3-19-11-7-16-5-4-15(6-10-18-2)14(16)17-8-12-20-13-9-17/h3-13H2,1-2H3/q+1
InChIKeyFQQYEJLOXKLUBK-UHFFFAOYSA-N
XLogP-0.31
TPSA37.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium?
The IUPAC name of 4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium (CID 59325857) is 4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium.
What is the SMILES notation for 4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium?
The canonical SMILES for 4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium is CCOCCN1CCN(CCOC)C1=[N+]1CCOCC1.
What is the InChIKey of 4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium?
The InChIKey is FQQYEJLOXKLUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N3O3/c1-3-19-11-7-16-5-4-15(6-10-18-2)14(16)17-8-12-20-13-9-17/h3-13H2,1-2H3/q+1.
What are the key properties of 4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium?
4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium has a molecular weight of 286.40 g/mol, XLogP of -0.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethoxyethyl)-3-(2-methoxyethyl)imidazolidin-2-ylidene]morpholin-4-ium is sourced from PubChem (CID 59325857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).