ethylazanium chloride

C2H8ClN — CID 521681

IUPACethylazanium chloride
SMILESCC[NH3+].[Cl-]
InChIInChI=1S/C2H7N.ClH/c1-2-3;/h2-3H2,1H3;1H
InChIKeyXWBDWHCCBGMXKG-UHFFFAOYSA-N
MW81.55 g/mol
LogP-3.75
Rot. Bonds

About ethylazanium chloride

ethylazanium chloride (PubChem CID 521681) has the molecular formula C2H8ClN and a molecular weight of 81.55 g/mol. Its IUPAC name is ethylazanium chloride.

Molecular Properties

Compound Nameethylazanium chloride
PubChem CID521681
Molecular FormulaC2H8ClN
Molecular Weight81.55 g/mol
Exact Mass81.03
IUPAC Nameethylazanium chloride
SMILESCC[NH3+].[Cl-]
InChIInChI=1S/C2H7N.ClH/c1-2-3;/h2-3H2,1H3;1H
InChIKeyXWBDWHCCBGMXKG-UHFFFAOYSA-N
XLogP-3.75
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.55
LogP ≤ 5-3.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethylazanium chloride?
The IUPAC name of ethylazanium chloride (CID 521681) is ethylazanium chloride.
What is the SMILES notation for ethylazanium chloride?
The canonical SMILES for ethylazanium chloride is CC[NH3+].[Cl-].
What is the InChIKey of ethylazanium chloride?
The InChIKey is XWBDWHCCBGMXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.ClH/c1-2-3;/h2-3H2,1H3;1H.
What are the key properties of ethylazanium chloride?
ethylazanium chloride has a molecular weight of 81.55 g/mol, XLogP of -3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylazanium chloride is sourced from PubChem (CID 521681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).