trimethyl-[2-(propylcarbamoyloxy)ethyl]azanium chloride

C9H21ClN2O2 — CID 24836764

IUPACtrimethyl-[2-(propylcarbamoyloxy)ethyl]azanium chloride
SMILESCCCNC(=O)OCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C9H20N2O2.ClH/c1-5-6-10-9(12)13-8-7-11(2,3)4;/h5-8H2,1-4H3;1H
InChIKeyAZVZTHKAORPIAH-UHFFFAOYSA-N
MW224.73 g/mol
LogP-2.17
Rot. Bonds5

About trimethyl-[2-(propylcarbamoyloxy)ethyl]azanium chloride

trimethyl-[2-(propylcarbamoyloxy)ethyl]azanium chloride (PubChem CID 24836764) has the molecular formula C9H21ClN2O2 and a molecular weight of 224.73 g/mol. Its IUPAC name is trimethyl-[2-(propylcarbamoyloxy)ethyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[2-(propylcarbamoyloxy)ethyl]azanium chloride
PubChem CID24836764
Molecular FormulaC9H21ClN2O2
Molecular Weight224.73 g/mol
Exact Mass224.13
IUPAC Nametrimethyl-[2-(propylcarbamoyloxy)ethyl]azanium chloride
SMILESCCCNC(=O)OCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C9H20N2O2.ClH/c1-5-6-10-9(12)13-8-7-11(2,3)4;/h5-8H2,1-4H3;1H
InChIKeyAZVZTHKAORPIAH-UHFFFAOYSA-N
XLogP-2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 5-2.17
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 trimethyl-[2-(propylcarbamoyloxy)ethyl]azanium chloride?
The IUPAC name of trimethyl-[2-(propylcarbamoyloxy)ethyl]azanium chloride (CID 24836764) is trimethyl-[2-(propylcarbamoyloxy)ethyl]azanium chloride.
What is the SMILES notation for trimethyl-[2-(propylcarbamoyloxy)ethyl]azanium chloride?
The canonical SMILES for trimethyl-[2-(propylcarbamoyloxy)ethyl]azanium chloride is CCCNC(=O)OCC[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[2-(propylcarbamoyloxy)ethyl]azanium chloride?
The InChIKey is AZVZTHKAORPIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2.ClH/c1-5-6-10-9(12)13-8-7-11(2,3)4;/h5-8H2,1-4H3;1H.
What are the key properties of trimethyl-[2-(propylcarbamoyloxy)ethyl]azanium chloride?
trimethyl-[2-(propylcarbamoyloxy)ethyl]azanium chloride has a molecular weight of 224.73 g/mol, XLogP of -2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(propylcarbamoyloxy)ethyl]azanium chloride is sourced from PubChem (CID 24836764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).