2-methoxyethylazanium

C3H10NO+ — CID 6999982

IUPAC2-methoxyethylazanium
SMILESCOCC[NH3+]
InChIInChI=1S/C3H9NO/c1-5-3-2-4/h2-4H2,1H3/p+1
InChIKeyASUDFOJKTJLAIK-UHFFFAOYSA-O
MW76.12 g/mol
LogP-1.13
Rot. Bonds2

About 2-methoxyethylazanium

2-methoxyethylazanium (PubChem CID 6999982) has the molecular formula C3H10NO+ and a molecular weight of 76.12 g/mol. Its IUPAC name is 2-methoxyethylazanium.

Molecular Properties

Compound Name2-methoxyethylazanium
PubChem CID6999982
Molecular FormulaC3H10NO+
Molecular Weight76.12 g/mol
Exact Mass76.08
IUPAC Name2-methoxyethylazanium
SMILESCOCC[NH3+]
InChIInChI=1S/C3H9NO/c1-5-3-2-4/h2-4H2,1H3/p+1
InChIKeyASUDFOJKTJLAIK-UHFFFAOYSA-O
XLogP-1.13
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.12
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethylazanium?
The IUPAC name of 2-methoxyethylazanium (CID 6999982) is 2-methoxyethylazanium.
What is the SMILES notation for 2-methoxyethylazanium?
The canonical SMILES for 2-methoxyethylazanium is COCC[NH3+].
What is the InChIKey of 2-methoxyethylazanium?
The InChIKey is ASUDFOJKTJLAIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9NO/c1-5-3-2-4/h2-4H2,1H3/p+1.
What are the key properties of 2-methoxyethylazanium?
2-methoxyethylazanium has a molecular weight of 76.12 g/mol, XLogP of -1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethylazanium is sourced from PubChem (CID 6999982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).