2-carbamoyloxyethyl-ethyl-dimethylazanium

C7H17N2O2+ — CID 15029218

IUPAC2-carbamoyloxyethyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)CCOC(N)=O
InChIInChI=1S/C7H16N2O2/c1-4-9(2,3)5-6-11-7(8)10/h4-6H2,1-3H3,(H-,8,10)/p+1
InChIKeyIDIIVCIDEJAXLN-UHFFFAOYSA-O
MW161.22 g/mol
LogP0.18
Rot. Bonds4

About 2-carbamoyloxyethyl-ethyl-dimethylazanium

2-carbamoyloxyethyl-ethyl-dimethylazanium (PubChem CID 15029218) has the molecular formula C7H17N2O2+ and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-carbamoyloxyethyl-ethyl-dimethylazanium.

Molecular Properties

Compound Name2-carbamoyloxyethyl-ethyl-dimethylazanium
PubChem CID15029218
Molecular FormulaC7H17N2O2+
Molecular Weight161.22 g/mol
Exact Mass161.13
IUPAC Name2-carbamoyloxyethyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)CCOC(N)=O
InChIInChI=1S/C7H16N2O2/c1-4-9(2,3)5-6-11-7(8)10/h4-6H2,1-3H3,(H-,8,10)/p+1
InChIKeyIDIIVCIDEJAXLN-UHFFFAOYSA-O
XLogP0.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.18
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-ethyl-dimethylazanium?
The IUPAC name of 2-carbamoyloxyethyl-ethyl-dimethylazanium (CID 15029218) is 2-carbamoyloxyethyl-ethyl-dimethylazanium.
What is the SMILES notation for 2-carbamoyloxyethyl-ethyl-dimethylazanium?
The canonical SMILES for 2-carbamoyloxyethyl-ethyl-dimethylazanium is CC[N+](C)(C)CCOC(N)=O.
What is the InChIKey of 2-carbamoyloxyethyl-ethyl-dimethylazanium?
The InChIKey is IDIIVCIDEJAXLN-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16N2O2/c1-4-9(2,3)5-6-11-7(8)10/h4-6H2,1-3H3,(H-,8,10)/p+1.
What are the key properties of 2-carbamoyloxyethyl-ethyl-dimethylazanium?
2-carbamoyloxyethyl-ethyl-dimethylazanium has a molecular weight of 161.22 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyloxyethyl-ethyl-dimethylazanium is sourced from PubChem (CID 15029218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).