2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium

C11H28N2O+2 — CID 22833505

IUPAC2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium
SMILESCCC[N+](C)(C)CC[N+](C)(C)CCO
InChIInChI=1S/C11H28N2O/c1-6-7-12(2,3)8-9-13(4,5)10-11-14/h14H,6-11H2,1-5H3/q+2
InChIKeyQMNNRGKJQDYTLA-UHFFFAOYSA-N
MW204.36 g/mol
LogP0.54
Rot. Bonds7

About 2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium

2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium (PubChem CID 22833505) has the molecular formula C11H28N2O+2 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Name2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium
PubChem CID22833505
Molecular FormulaC11H28N2O+2
Molecular Weight204.36 g/mol
Exact Mass204.22
IUPAC Name2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium
SMILESCCC[N+](C)(C)CC[N+](C)(C)CCO
InChIInChI=1S/C11H28N2O/c1-6-7-12(2,3)8-9-13(4,5)10-11-14/h14H,6-11H2,1-5H3/q+2
InChIKeyQMNNRGKJQDYTLA-UHFFFAOYSA-N
XLogP0.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[dimethyl(propyl)azaniumyl]pentyl-(2-hydroxyethyl)-dimethylazanium dibromide
CID 159049358
dihydrogen phosphate;2-hydroxyethyl-dimethyl-propylazanium
CID 23459330
docosan-1-amine;2-hydroxyethyl-dimethyl-propylazanium
CID 87193109
dimethyl(dipropyl)azanium chloride
CID 19774441
bis(2-hydroxyethyl)-[2-(2-hydroxyethyl-methyl-propylazaniumyl)ethyl]-methylazanium
CID 159063844
2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium
CID 153362920
bis(decyl-(2-hydroxyethyl)-dimethylazanium);dichloride;hydrobromide
CID 172747329
bis(hydroxymethyl)-methyl-propylazanium
CID 174797538
formic acid;2-hydroxyethyl-methyl-dipropylazanium
CID 88813564
2-hydroxyethyl-dimethyl-octylazanium hexafluorophosphate
CID 177164068
8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium
CID 175720257
2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid
CID 174836924

Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium?
The IUPAC name of 2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium (CID 22833505) is 2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for 2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium?
The canonical SMILES for 2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium is CCC[N+](C)(C)CC[N+](C)(C)CCO.
What is the InChIKey of 2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium?
The InChIKey is QMNNRGKJQDYTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O/c1-6-7-12(2,3)8-9-13(4,5)10-11-14/h14H,6-11H2,1-5H3/q+2.
What are the key properties of 2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium?
2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium has a molecular weight of 204.36 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 22833505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).