bis(acetamidomethyl)-dimethylazanium

C8H18N3O2+ — CID 12719364

IUPACbis(acetamidomethyl)-dimethylazanium
SMILESCC(=O)NC[N+](C)(C)CNC(C)=O
InChIInChI=1S/C8H17N3O2/c1-7(12)9-5-11(3,4)6-10-8(2)13/h5-6H2,1-4H3,(H-,9,10,12,13)/p+1
InChIKeyFQFSXOPQRHIZGF-UHFFFAOYSA-O
MW188.25 g/mol
LogP-0.75
Rot. Bonds4

About bis(acetamidomethyl)-dimethylazanium

bis(acetamidomethyl)-dimethylazanium (PubChem CID 12719364) has the molecular formula C8H18N3O2+ and a molecular weight of 188.25 g/mol. Its IUPAC name is bis(acetamidomethyl)-dimethylazanium.

Molecular Properties

Compound Namebis(acetamidomethyl)-dimethylazanium
PubChem CID12719364
Molecular FormulaC8H18N3O2+
Molecular Weight188.25 g/mol
Exact Mass188.14
IUPAC Namebis(acetamidomethyl)-dimethylazanium
SMILESCC(=O)NC[N+](C)(C)CNC(C)=O
InChIInChI=1S/C8H17N3O2/c1-7(12)9-5-11(3,4)6-10-8(2)13/h5-6H2,1-4H3,(H-,9,10,12,13)/p+1
InChIKeyFQFSXOPQRHIZGF-UHFFFAOYSA-O
XLogP-0.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 bis(acetamidomethyl)-dimethylazanium?
The IUPAC name of bis(acetamidomethyl)-dimethylazanium (CID 12719364) is bis(acetamidomethyl)-dimethylazanium.
What is the SMILES notation for bis(acetamidomethyl)-dimethylazanium?
The canonical SMILES for bis(acetamidomethyl)-dimethylazanium is CC(=O)NC[N+](C)(C)CNC(C)=O.
What is the InChIKey of bis(acetamidomethyl)-dimethylazanium?
The InChIKey is FQFSXOPQRHIZGF-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17N3O2/c1-7(12)9-5-11(3,4)6-10-8(2)13/h5-6H2,1-4H3,(H-,9,10,12,13)/p+1.
What are the key properties of bis(acetamidomethyl)-dimethylazanium?
bis(acetamidomethyl)-dimethylazanium has a molecular weight of 188.25 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetamidomethyl)-dimethylazanium is sourced from PubChem (CID 12719364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).