2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium

C11H27N2O+ — CID 140694499

IUPAC2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium
SMILESCC(C)[N+](C)(C)CCOCCN(C)C
InChIInChI=1S/C11H27N2O/c1-11(2)13(5,6)8-10-14-9-7-12(3)4/h11H,7-10H2,1-6H3/q+1
InChIKeyUQQCWBLKRAYEAJ-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.05
Rot. Bonds7

About 2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium

2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium (PubChem CID 140694499) has the molecular formula C11H27N2O+ and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium
PubChem CID140694499
Molecular FormulaC11H27N2O+
Molecular Weight203.35 g/mol
Exact Mass203.21
IUPAC Name2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium
SMILESCC(C)[N+](C)(C)CCOCCN(C)C
InChIInChI=1S/C11H27N2O/c1-11(2)13(5,6)8-10-14-9-7-12(3)4/h11H,7-10H2,1-6H3/q+1
InChIKeyUQQCWBLKRAYEAJ-UHFFFAOYSA-N
XLogP1.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methylpropan-2-amine
CID 170129105
2-[2-(dimethylamino)ethoxy]ethanolate
CID 23295259
2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783
2-methoxyethyl-dimethyl-propan-2-ylazanium
CID 123576136
N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 62341832
2-[2-(dimethylamino)ethoxy]ethanol
CID 158737336
1-[2-(dimethylamino)ethoxy]propan-2-amine
CID 164578140
2-[2-(dimethylamino)ethoxy]ethyl hypoiodite
CID 138660148
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethanamine
CID 58108235
2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride
CID 71756551
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154730088
2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine
CID 90874873

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium (CID 140694499) is 2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium is CC(C)[N+](C)(C)CCOCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium?
The InChIKey is UQQCWBLKRAYEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N2O/c1-11(2)13(5,6)8-10-14-9-7-12(3)4/h11H,7-10H2,1-6H3/q+1.
What are the key properties of 2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium?
2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium has a molecular weight of 203.35 g/mol, XLogP of 1.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]ethyl-dimethyl-propan-2-ylazanium is sourced from PubChem (CID 140694499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).