2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride

C6H18Cl2N2O3 — CID 23615624

IUPAC2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride
SMILESC[N+](C)(C)CCO.Cl.Cl.NC(=O)[O-]
InChIInChI=1S/C5H14NO.CH3NO2.2ClH/c1-6(2,3)4-5-7;2-1(3)4;;/h7H,4-5H2,1-3H3;2H2,(H,3,4);2*1H/q+1;;;/p-1
InChIKeyKFWAFEYXQULLDA-UHFFFAOYSA-M
MW237.13 g/mol
LogP-1.18
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride

2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride (PubChem CID 23615624) has the molecular formula C6H18Cl2N2O3 and a molecular weight of 237.13 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride
PubChem CID23615624
Molecular FormulaC6H18Cl2N2O3
Molecular Weight237.13 g/mol
Exact Mass236.07
IUPAC Name2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride
SMILESC[N+](C)(C)CCO.Cl.Cl.NC(=O)[O-]
InChIInChI=1S/C5H14NO.CH3NO2.2ClH/c1-6(2,3)4-5-7;2-1(3)4;;/h7H,4-5H2,1-3H3;2H2,(H,3,4);2*1H/q+1;;;/p-1
InChIKeyKFWAFEYXQULLDA-UHFFFAOYSA-M
XLogP-1.18
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride (CID 23615624) is 2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride is C[N+](C)(C)CCO.Cl.Cl.NC(=O)[O-].
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride?
The InChIKey is KFWAFEYXQULLDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14NO.CH3NO2.2ClH/c1-6(2,3)4-5-7;2-1(3)4;;/h7H,4-5H2,1-3H3;2H2,(H,3,4);2*1H/q+1;;;/p-1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride?
2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride has a molecular weight of 237.13 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;carbamate;dihydrochloride is sourced from PubChem (CID 23615624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).