3-(2-methoxyethoxy)propylazanium

C6H16NO2+ — CID 7019638

IUPAC3-(2-methoxyethoxy)propylazanium
SMILESCOCCOCCC[NH3+]
InChIInChI=1S/C6H15NO2/c1-8-5-6-9-4-2-3-7/h2-7H2,1H3/p+1
InChIKeyPWGVOCGNHYMDLS-UHFFFAOYSA-O
MW134.20 g/mol
LogP-0.72
Rot. Bonds6

About 3-(2-methoxyethoxy)propylazanium

3-(2-methoxyethoxy)propylazanium (PubChem CID 7019638) has the molecular formula C6H16NO2+ and a molecular weight of 134.20 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propylazanium.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propylazanium
PubChem CID7019638
Molecular FormulaC6H16NO2+
Molecular Weight134.20 g/mol
Exact Mass134.12
IUPAC Name3-(2-methoxyethoxy)propylazanium
SMILESCOCCOCCC[NH3+]
InChIInChI=1S/C6H15NO2/c1-8-5-6-9-4-2-3-7/h2-7H2,1H3/p+1
InChIKeyPWGVOCGNHYMDLS-UHFFFAOYSA-O
XLogP-0.72
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propylazanium?
The IUPAC name of 3-(2-methoxyethoxy)propylazanium (CID 7019638) is 3-(2-methoxyethoxy)propylazanium.
What is the SMILES notation for 3-(2-methoxyethoxy)propylazanium?
The canonical SMILES for 3-(2-methoxyethoxy)propylazanium is COCCOCCC[NH3+].
What is the InChIKey of 3-(2-methoxyethoxy)propylazanium?
The InChIKey is PWGVOCGNHYMDLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15NO2/c1-8-5-6-9-4-2-3-7/h2-7H2,1H3/p+1.
What are the key properties of 3-(2-methoxyethoxy)propylazanium?
3-(2-methoxyethoxy)propylazanium has a molecular weight of 134.20 g/mol, XLogP of -0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propylazanium is sourced from PubChem (CID 7019638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).