trimethyl-[2-(methylcarbamoyloxy)ethyl]azanium

C7H17N2O2+ — CID 4136

IUPACtrimethyl-[2-(methylcarbamoyloxy)ethyl]azanium
SMILESCNC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C7H16N2O2/c1-8-7(10)11-6-5-9(2,3)4/h5-6H2,1-4H3/p+1
InChIKeyYAUZNKLMKRQDAM-UHFFFAOYSA-O
MW161.22 g/mol
LogP0.05
Rot. Bonds3

About trimethyl-[2-(methylcarbamoyloxy)ethyl]azanium

trimethyl-[2-(methylcarbamoyloxy)ethyl]azanium (PubChem CID 4136) has the molecular formula C7H17N2O2+ and a molecular weight of 161.22 g/mol. Its IUPAC name is trimethyl-[2-(methylcarbamoyloxy)ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(methylcarbamoyloxy)ethyl]azanium
PubChem CID4136
Molecular FormulaC7H17N2O2+
Molecular Weight161.22 g/mol
Exact Mass161.13
IUPAC Nametrimethyl-[2-(methylcarbamoyloxy)ethyl]azanium
SMILESCNC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C7H16N2O2/c1-8-7(10)11-6-5-9(2,3)4/h5-6H2,1-4H3/p+1
InChIKeyYAUZNKLMKRQDAM-UHFFFAOYSA-O
XLogP0.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.05
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-(methylcarbamoyloxy)ethyl]azanium?
The IUPAC name of trimethyl-[2-(methylcarbamoyloxy)ethyl]azanium (CID 4136) is trimethyl-[2-(methylcarbamoyloxy)ethyl]azanium.
What is the SMILES notation for trimethyl-[2-(methylcarbamoyloxy)ethyl]azanium?
The canonical SMILES for trimethyl-[2-(methylcarbamoyloxy)ethyl]azanium is CNC(=O)OCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-(methylcarbamoyloxy)ethyl]azanium?
The InChIKey is YAUZNKLMKRQDAM-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16N2O2/c1-8-7(10)11-6-5-9(2,3)4/h5-6H2,1-4H3/p+1.
What are the key properties of trimethyl-[2-(methylcarbamoyloxy)ethyl]azanium?
trimethyl-[2-(methylcarbamoyloxy)ethyl]azanium has a molecular weight of 161.22 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(methylcarbamoyloxy)ethyl]azanium is sourced from PubChem (CID 4136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).