diethylazanium chloride

C4H12ClN — CID 12618

IUPACdiethylazanium chloride
SMILESCC[NH2+]CC.[Cl-]
InChIInChI=1S/C4H11N.ClH/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H
InChIKeyHDITUCONWLWUJR-UHFFFAOYSA-N
MW109.60 g/mol
LogP-3.41
Rot. Bonds2

About diethylazanium chloride

diethylazanium chloride (PubChem CID 12618) has the molecular formula C4H12ClN and a molecular weight of 109.60 g/mol. Its IUPAC name is diethylazanium chloride.

Molecular Properties

Compound Namediethylazanium chloride
PubChem CID12618
Molecular FormulaC4H12ClN
Molecular Weight109.60 g/mol
Exact Mass109.07
IUPAC Namediethylazanium chloride
SMILESCC[NH2+]CC.[Cl-]
InChIInChI=1S/C4H11N.ClH/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H
InChIKeyHDITUCONWLWUJR-UHFFFAOYSA-N
XLogP-3.41
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.60
LogP ≤ 5-3.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of diethylazanium chloride?
The IUPAC name of diethylazanium chloride (CID 12618) is diethylazanium chloride.
What is the SMILES notation for diethylazanium chloride?
The canonical SMILES for diethylazanium chloride is CC[NH2+]CC.[Cl-].
What is the InChIKey of diethylazanium chloride?
The InChIKey is HDITUCONWLWUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.ClH/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H.
What are the key properties of diethylazanium chloride?
diethylazanium chloride has a molecular weight of 109.60 g/mol, XLogP of -3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylazanium chloride is sourced from PubChem (CID 12618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).