2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride

C6H16Cl2N2O2 — CID 23615620

IUPAC2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride
SMILESC[N+](C)(C)CCOC(N)=O.Cl.[Cl-]
InChIInChI=1S/C6H14N2O2.2ClH/c1-8(2,3)4-5-10-6(7)9;;/h4-5H2,1-3H3,(H-,7,9);2*1H
InChIKeyMCOCCPRIPFCNLP-UHFFFAOYSA-N
MW219.11 g/mol
LogP-2.79
Rot. Bonds3

About 2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride

2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride (PubChem CID 23615620) has the molecular formula C6H16Cl2N2O2 and a molecular weight of 219.11 g/mol. Its IUPAC name is 2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride.

Molecular Properties

Compound Name2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride
PubChem CID23615620
Molecular FormulaC6H16Cl2N2O2
Molecular Weight219.11 g/mol
Exact Mass218.06
IUPAC Name2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride
SMILESC[N+](C)(C)CCOC(N)=O.Cl.[Cl-]
InChIInChI=1S/C6H14N2O2.2ClH/c1-8(2,3)4-5-10-6(7)9;;/h4-5H2,1-3H3,(H-,7,9);2*1H
InChIKeyMCOCCPRIPFCNLP-UHFFFAOYSA-N
XLogP-2.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 5-2.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride?
The IUPAC name of 2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride (CID 23615620) is 2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride.
What is the SMILES notation for 2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride?
The canonical SMILES for 2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride is C[N+](C)(C)CCOC(N)=O.Cl.[Cl-].
What is the InChIKey of 2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride?
The InChIKey is MCOCCPRIPFCNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.2ClH/c1-8(2,3)4-5-10-6(7)9;;/h4-5H2,1-3H3,(H-,7,9);2*1H.
What are the key properties of 2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride?
2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride has a molecular weight of 219.11 g/mol, XLogP of -2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride is sourced from PubChem (CID 23615620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).