2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium

C11H27N2O2+ — CID 118041121

IUPAC2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium
SMILESCN(C)CCCOCOCC[N+](C)(C)C
InChIInChI=1S/C11H27N2O2/c1-12(2)7-6-9-14-11-15-10-8-13(3,4)5/h6-11H2,1-5H3/q+1
InChIKeyAINXAHZRLBCBRU-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.63
Rot. Bonds9

About 2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium

2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium (PubChem CID 118041121) has the molecular formula C11H27N2O2+ and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium
PubChem CID118041121
Molecular FormulaC11H27N2O2+
Molecular Weight219.35 g/mol
Exact Mass219.21
IUPAC Name2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium
SMILESCN(C)CCCOCOCC[N+](C)(C)C
InChIInChI=1S/C11H27N2O2/c1-12(2)7-6-9-14-11-15-10-8-13(3,4)5/h6-11H2,1-5H3/q+1
InChIKeyAINXAHZRLBCBRU-UHFFFAOYSA-N
XLogP0.63
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium?
The IUPAC name of 2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium (CID 118041121) is 2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium.
What is the SMILES notation for 2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium?
The canonical SMILES for 2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium is CN(C)CCCOCOCC[N+](C)(C)C.
What is the InChIKey of 2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium?
The InChIKey is AINXAHZRLBCBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N2O2/c1-12(2)7-6-9-14-11-15-10-8-13(3,4)5/h6-11H2,1-5H3/q+1.
What are the key properties of 2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium?
2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium has a molecular weight of 219.35 g/mol, XLogP of 0.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propoxymethoxy]ethyl-trimethylazanium is sourced from PubChem (CID 118041121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).