bis(3-chloropropyl)-dimethylazanium

C8H18Cl2N+ — CID 20617648

IUPACbis(3-chloropropyl)-dimethylazanium
SMILESC[N+](C)(CCCCl)CCCCl
InChIInChI=1S/C8H18Cl2N/c1-11(2,7-3-5-9)8-4-6-10/h3-8H2,1-2H3/q+1
InChIKeyRAOIVJZEWBZAGG-UHFFFAOYSA-N
MW199.14 g/mol
LogP2.32
Rot. Bonds6

About bis(3-chloropropyl)-dimethylazanium

bis(3-chloropropyl)-dimethylazanium (PubChem CID 20617648) has the molecular formula C8H18Cl2N+ and a molecular weight of 199.14 g/mol. Its IUPAC name is bis(3-chloropropyl)-dimethylazanium.

Molecular Properties

Compound Namebis(3-chloropropyl)-dimethylazanium
PubChem CID20617648
Molecular FormulaC8H18Cl2N+
Molecular Weight199.14 g/mol
Exact Mass198.08
IUPAC Namebis(3-chloropropyl)-dimethylazanium
SMILESC[N+](C)(CCCCl)CCCCl
InChIInChI=1S/C8H18Cl2N/c1-11(2,7-3-5-9)8-4-6-10/h3-8H2,1-2H3/q+1
InChIKeyRAOIVJZEWBZAGG-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 52.32
H-Bond Donors ≤ 50
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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Related Compounds

3-chloropropyl-dimethyl-octylazanium iodide
CID 139953735
4-chlorobutyl-heptyl-dimethylazanium
CID 54088244
4-chlorobutyl-dimethyl-octylazanium bromide
CID 139953397
2-chloroethyl-dimethyl-undecylazanium chloride
CID 139953575
2-chloroethyl-decyl-dimethylazanium bromide
CID 139952688
3-chloropropyl-methyl-di(nonyl)azanium bromide
CID 139956719
3-chloropropyl-methyl-di(nonyl)azanium chloride
CID 139956752
3-chloropropyl(trihexyl)azanium
CID 139954200
decyl-dimethyl-tetradecylazanium
CID 13075680
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
dodecyl-dimethyl-undecylazanium
CID 21491028
heptyl-dimethyl-undecylazanium
CID 122480849

Frequently Asked Questions

What is the IUPAC name of bis(3-chloropropyl)-dimethylazanium?
The IUPAC name of bis(3-chloropropyl)-dimethylazanium (CID 20617648) is bis(3-chloropropyl)-dimethylazanium.
What is the SMILES notation for bis(3-chloropropyl)-dimethylazanium?
The canonical SMILES for bis(3-chloropropyl)-dimethylazanium is C[N+](C)(CCCCl)CCCCl.
What is the InChIKey of bis(3-chloropropyl)-dimethylazanium?
The InChIKey is RAOIVJZEWBZAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18Cl2N/c1-11(2,7-3-5-9)8-4-6-10/h3-8H2,1-2H3/q+1.
What are the key properties of bis(3-chloropropyl)-dimethylazanium?
bis(3-chloropropyl)-dimethylazanium has a molecular weight of 199.14 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloropropyl)-dimethylazanium is sourced from PubChem (CID 20617648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).