(acetylazaniumyl)methyl-trimethylazanium

C6H16N2O+2 — CID 21362038

IUPAC(acetylazaniumyl)methyl-trimethylazanium
SMILESCC(=O)[NH2+]C[N+](C)(C)C
InChIInChI=1S/C6H14N2O/c1-6(9)7-5-8(2,3)4/h5H2,1-4H3/p+2
InChIKeyOXMGNVPCXOCXRR-UHFFFAOYSA-P
MW132.21 g/mol
LogP-1.24
Rot. Bonds2

About (acetylazaniumyl)methyl-trimethylazanium

(acetylazaniumyl)methyl-trimethylazanium (PubChem CID 21362038) has the molecular formula C6H16N2O+2 and a molecular weight of 132.21 g/mol. Its IUPAC name is (acetylazaniumyl)methyl-trimethylazanium.

Molecular Properties

Compound Name(acetylazaniumyl)methyl-trimethylazanium
PubChem CID21362038
Molecular FormulaC6H16N2O+2
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name(acetylazaniumyl)methyl-trimethylazanium
SMILESCC(=O)[NH2+]C[N+](C)(C)C
InChIInChI=1S/C6H14N2O/c1-6(9)7-5-8(2,3)4/h5H2,1-4H3/p+2
InChIKeyOXMGNVPCXOCXRR-UHFFFAOYSA-P
XLogP-1.24
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (acetylazaniumyl)methyl-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (acetylazaniumyl)methyl-trimethylazanium?
The IUPAC name of (acetylazaniumyl)methyl-trimethylazanium (CID 21362038) is (acetylazaniumyl)methyl-trimethylazanium.
What is the SMILES notation for (acetylazaniumyl)methyl-trimethylazanium?
The canonical SMILES for (acetylazaniumyl)methyl-trimethylazanium is CC(=O)[NH2+]C[N+](C)(C)C.
What is the InChIKey of (acetylazaniumyl)methyl-trimethylazanium?
The InChIKey is OXMGNVPCXOCXRR-UHFFFAOYSA-P. The full InChI is InChI=1S/C6H14N2O/c1-6(9)7-5-8(2,3)4/h5H2,1-4H3/p+2.
What are the key properties of (acetylazaniumyl)methyl-trimethylazanium?
(acetylazaniumyl)methyl-trimethylazanium has a molecular weight of 132.21 g/mol, XLogP of -1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (acetylazaniumyl)methyl-trimethylazanium is sourced from PubChem (CID 21362038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).