[dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate

C9H19N3O4 — CID 67567928

IUPAC[dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC(OC(=O)N(C)C)N(C)C
InChIInChI=1S/C9H19N3O4/c1-10(2)7(13)15-9(12(5)6)16-8(14)11(3)4/h9H,1-6H3
InChIKeyZUAZDBKXNQGXOC-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.23
Rot. Bonds3

About [dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate

[dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate (PubChem CID 67567928) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is [dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate
PubChem CID67567928
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Name[dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC(OC(=O)N(C)C)N(C)C
InChIInChI=1S/C9H19N3O4/c1-10(2)7(13)15-9(12(5)6)16-8(14)11(3)4/h9H,1-6H3
InChIKeyZUAZDBKXNQGXOC-UHFFFAOYSA-N
XLogP0.23
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate?
The IUPAC name of [dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate (CID 67567928) is [dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate.
What is the SMILES notation for [dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate?
The canonical SMILES for [dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate is CN(C)C(=O)OC(OC(=O)N(C)C)N(C)C.
What is the InChIKey of [dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate?
The InChIKey is ZUAZDBKXNQGXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4/c1-10(2)7(13)15-9(12(5)6)16-8(14)11(3)4/h9H,1-6H3.
What are the key properties of [dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate?
[dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate has a molecular weight of 233.27 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate is sourced from PubChem (CID 67567928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).