azanium;2-chloroethyl(trimethyl)azanium;dichloride

C5H17Cl3N2 — CID 140539934

IUPACazanium;2-chloroethyl(trimethyl)azanium;dichloride
SMILESC[N+](C)(C)CCCl.[Cl-].[Cl-].[NH4+]
InChIInChI=1S/C5H13ClN.2ClH.H3N/c1-7(2,3)5-4-6;;;/h4-5H2,1-3H3;2*1H;1H3/q+1;;;/p-1
InChIKeyHAOFUJOGEGFTKN-UHFFFAOYSA-M
MW211.56 g/mol
LogP-4.68
Rot. Bonds2

About azanium;2-chloroethyl(trimethyl)azanium;dichloride

azanium;2-chloroethyl(trimethyl)azanium;dichloride (PubChem CID 140539934) has the molecular formula C5H17Cl3N2 and a molecular weight of 211.56 g/mol. Its IUPAC name is azanium;2-chloroethyl(trimethyl)azanium;dichloride.

Molecular Properties

Compound Nameazanium;2-chloroethyl(trimethyl)azanium;dichloride
PubChem CID140539934
Molecular FormulaC5H17Cl3N2
Molecular Weight211.56 g/mol
Exact Mass210.05
IUPAC Nameazanium;2-chloroethyl(trimethyl)azanium;dichloride
SMILESC[N+](C)(C)CCCl.[Cl-].[Cl-].[NH4+]
InChIInChI=1S/C5H13ClN.2ClH.H3N/c1-7(2,3)5-4-6;;;/h4-5H2,1-3H3;2*1H;1H3/q+1;;;/p-1
InChIKeyHAOFUJOGEGFTKN-UHFFFAOYSA-M
XLogP-4.68
TPSA36.50 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.56
LogP ≤ 5-4.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanium;2-chloroethyl(trimethyl)azanium;dichloride?
The IUPAC name of azanium;2-chloroethyl(trimethyl)azanium;dichloride (CID 140539934) is azanium;2-chloroethyl(trimethyl)azanium;dichloride.
What is the SMILES notation for azanium;2-chloroethyl(trimethyl)azanium;dichloride?
The canonical SMILES for azanium;2-chloroethyl(trimethyl)azanium;dichloride is C[N+](C)(C)CCCl.[Cl-].[Cl-].[NH4+].
What is the InChIKey of azanium;2-chloroethyl(trimethyl)azanium;dichloride?
The InChIKey is HAOFUJOGEGFTKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13ClN.2ClH.H3N/c1-7(2,3)5-4-6;;;/h4-5H2,1-3H3;2*1H;1H3/q+1;;;/p-1.
What are the key properties of azanium;2-chloroethyl(trimethyl)azanium;dichloride?
azanium;2-chloroethyl(trimethyl)azanium;dichloride has a molecular weight of 211.56 g/mol, XLogP of -4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;2-chloroethyl(trimethyl)azanium;dichloride is sourced from PubChem (CID 140539934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).