(dimethylamino)methoxycarbonyloxymethyl-trimethylazanium

C8H19N2O3+ — CID 163779469

IUPAC(dimethylamino)methoxycarbonyloxymethyl-trimethylazanium
SMILESCN(C)COC(=O)OC[N+](C)(C)C
InChIInChI=1S/C8H19N2O3/c1-9(2)6-12-8(11)13-7-10(3,4)5/h6-7H2,1-5H3/q+1
InChIKeyXSFVXTRUXOPXJA-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.32
Rot. Bonds4

About (dimethylamino)methoxycarbonyloxymethyl-trimethylazanium

(dimethylamino)methoxycarbonyloxymethyl-trimethylazanium (PubChem CID 163779469) has the molecular formula C8H19N2O3+ and a molecular weight of 191.25 g/mol. Its IUPAC name is (dimethylamino)methoxycarbonyloxymethyl-trimethylazanium.

Molecular Properties

Compound Name(dimethylamino)methoxycarbonyloxymethyl-trimethylazanium
PubChem CID163779469
Molecular FormulaC8H19N2O3+
Molecular Weight191.25 g/mol
Exact Mass191.14
IUPAC Name(dimethylamino)methoxycarbonyloxymethyl-trimethylazanium
SMILESCN(C)COC(=O)OC[N+](C)(C)C
InChIInChI=1S/C8H19N2O3/c1-9(2)6-12-8(11)13-7-10(3,4)5/h6-7H2,1-5H3/q+1
InChIKeyXSFVXTRUXOPXJA-UHFFFAOYSA-N
XLogP0.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (dimethylamino)methoxycarbonyloxymethyl-trimethylazanium?
The IUPAC name of (dimethylamino)methoxycarbonyloxymethyl-trimethylazanium (CID 163779469) is (dimethylamino)methoxycarbonyloxymethyl-trimethylazanium.
What is the SMILES notation for (dimethylamino)methoxycarbonyloxymethyl-trimethylazanium?
The canonical SMILES for (dimethylamino)methoxycarbonyloxymethyl-trimethylazanium is CN(C)COC(=O)OC[N+](C)(C)C.
What is the InChIKey of (dimethylamino)methoxycarbonyloxymethyl-trimethylazanium?
The InChIKey is XSFVXTRUXOPXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O3/c1-9(2)6-12-8(11)13-7-10(3,4)5/h6-7H2,1-5H3/q+1.
What are the key properties of (dimethylamino)methoxycarbonyloxymethyl-trimethylazanium?
(dimethylamino)methoxycarbonyloxymethyl-trimethylazanium has a molecular weight of 191.25 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methoxycarbonyloxymethyl-trimethylazanium is sourced from PubChem (CID 163779469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).