2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium

C8H21N2O2+ — CID 175060637

IUPAC2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium
SMILESCC(N)(O)COCC[N+](C)(C)C
InChIInChI=1S/C8H21N2O2/c1-8(9,11)7-12-6-5-10(2,3)4/h11H,5-7,9H2,1-4H3/q+1
InChIKeyDVAASTYFCVMJJV-UHFFFAOYSA-N
MW177.27 g/mol
LogP-0.62
Rot. Bonds5

About 2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium

2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium (PubChem CID 175060637) has the molecular formula C8H21N2O2+ and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium
PubChem CID175060637
Molecular FormulaC8H21N2O2+
Molecular Weight177.27 g/mol
Exact Mass177.16
IUPAC Name2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium
SMILESCC(N)(O)COCC[N+](C)(C)C
InChIInChI=1S/C8H21N2O2/c1-8(9,11)7-12-6-5-10(2,3)4/h11H,5-7,9H2,1-4H3/q+1
InChIKeyDVAASTYFCVMJJV-UHFFFAOYSA-N
XLogP-0.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
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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Related Compounds

trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride
CID 174841287
2-[2-(1-hexadecoxy-2-hydroxypropan-2-yl)oxyethoxy]ethyl-trimethylazanium
CID 88645401
2-(2-carboxyethoxy)ethyl-trimethylazanium;hydrochloride
CID 157230950
(3-hydroxy-3-methylbutyl)-trimethylazanium bromide
CID 71333434
barium(2+);2-carbamoyloxyethyl(trimethyl)azanium
CID 88516621
2-[3-[(2R)-3,3-dimethylbutan-2-yl]oxypropoxy]ethyl-trimethylazanium
CID 167404062
2-(3-carboxypropoxy)ethyl-trimethylazanium
CID 175598253
2-hydroperoxyethyl(trimethyl)azanium;sulfane
CID 174916235
2-ethoxyethyl(trimethyl)azanium;fluoromethane
CID 174704150
trimethyl-[2-(2,3,3-trimethylbutanoyloxy)ethyl]azanium
CID 20759371
hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate
CID 172848075
phosphorous acid;trimethyl(2-octadecoxyethyl)azanium
CID 174575298

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium?
The IUPAC name of 2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium (CID 175060637) is 2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium.
What is the SMILES notation for 2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium?
The canonical SMILES for 2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium is CC(N)(O)COCC[N+](C)(C)C.
What is the InChIKey of 2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium?
The InChIKey is DVAASTYFCVMJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2O2/c1-8(9,11)7-12-6-5-10(2,3)4/h11H,5-7,9H2,1-4H3/q+1.
What are the key properties of 2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium?
2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium has a molecular weight of 177.27 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-hydroxypropoxy)ethyl-trimethylazanium is sourced from PubChem (CID 175060637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).