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

C6H19Cl2N3O2 — CID 174427776

IUPACazane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride
SMILESC[N+](C)(C)CCOC(N)=O.Cl.N.[Cl-]
InChIInChI=1S/C6H14N2O2.2ClH.H3N/c1-8(2,3)4-5-10-6(7)9;;;/h4-5H2,1-3H3,(H-,7,9);2*1H;1H3
InChIKeyHUDIOKGPKFOVJK-UHFFFAOYSA-N
MW236.14 g/mol
LogP-2.62
Rot. Bonds3

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

azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride (PubChem CID 174427776) has the molecular formula C6H19Cl2N3O2 and a molecular weight of 236.14 g/mol. Its IUPAC name is azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride.

Molecular Properties

Compound Nameazane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride
PubChem CID174427776
Molecular FormulaC6H19Cl2N3O2
Molecular Weight236.14 g/mol
Exact Mass235.09
IUPAC Nameazane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride
SMILESC[N+](C)(C)CCOC(N)=O.Cl.N.[Cl-]
InChIInChI=1S/C6H14N2O2.2ClH.H3N/c1-8(2,3)4-5-10-6(7)9;;;/h4-5H2,1-3H3,(H-,7,9);2*1H;1H3
InChIKeyHUDIOKGPKFOVJK-UHFFFAOYSA-N
XLogP-2.62
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 5-2.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride?
The IUPAC name of azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride (CID 174427776) is azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride.
What is the SMILES notation for azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride?
The canonical SMILES for azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride is C[N+](C)(C)CCOC(N)=O.Cl.N.[Cl-].
What is the InChIKey of azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride?
The InChIKey is HUDIOKGPKFOVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.2ClH.H3N/c1-8(2,3)4-5-10-6(7)9;;;/h4-5H2,1-3H3,(H-,7,9);2*1H;1H3.
What are the key properties of azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride?
azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride has a molecular weight of 236.14 g/mol, XLogP of -2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride is sourced from PubChem (CID 174427776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).