1,3-dimethyl-1-oxido-1,3-diazinan-1-ium

C6H14N2O — CID 18519068

IUPAC1,3-dimethyl-1-oxido-1,3-diazinan-1-ium
SMILESCN1CCC[N+](C)([O-])C1
InChIInChI=1S/C6H14N2O/c1-7-4-3-5-8(2,9)6-7/h3-6H2,1-2H3
InChIKeyIBYKAXZOJKVUHX-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.22
Rot. Bonds

About 1,3-dimethyl-1-oxido-1,3-diazinan-1-ium

1,3-dimethyl-1-oxido-1,3-diazinan-1-ium (PubChem CID 18519068) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1,3-dimethyl-1-oxido-1,3-diazinan-1-ium.

Molecular Properties

Compound Name1,3-dimethyl-1-oxido-1,3-diazinan-1-ium
PubChem CID18519068
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1,3-dimethyl-1-oxido-1,3-diazinan-1-ium
SMILESCN1CCC[N+](C)([O-])C1
InChIInChI=1S/C6H14N2O/c1-7-4-3-5-8(2,9)6-7/h3-6H2,1-2H3
InChIKeyIBYKAXZOJKVUHX-UHFFFAOYSA-N
XLogP0.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-1-oxido-1,3-diazinan-1-ium with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-2-aza-5-azoniaspiro[4.4]nonane
CID 162288915
1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten
CID 158402178
4-methyl-4-aza-3-azoniaspiro[2.4]heptane
CID 123357827
CID 172772830
CID 172772830
1-methylpiperidine
CID 90254979
1-methylpyrrolidine;phosphane
CID 159655297
1,4,8,12-tetramethyl-1,4,8,12-tetrazacyclopentadecane
CID 15198794
1,4,7-trimethyl-1,4,7-triazecane
CID 15461213
1-methylpiperidine
CID 160757527
ethane;bis(1-methylpyrrolidine)
CID 153385238
methane;1,1,4-trimethylpiperazin-1-ium
CID 160518182
CID 68772535
CID 68772535

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-oxido-1,3-diazinan-1-ium?
The IUPAC name of 1,3-dimethyl-1-oxido-1,3-diazinan-1-ium (CID 18519068) is 1,3-dimethyl-1-oxido-1,3-diazinan-1-ium.
What is the SMILES notation for 1,3-dimethyl-1-oxido-1,3-diazinan-1-ium?
The canonical SMILES for 1,3-dimethyl-1-oxido-1,3-diazinan-1-ium is CN1CCC[N+](C)([O-])C1.
What is the InChIKey of 1,3-dimethyl-1-oxido-1,3-diazinan-1-ium?
The InChIKey is IBYKAXZOJKVUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-7-4-3-5-8(2,9)6-7/h3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-1-oxido-1,3-diazinan-1-ium?
1,3-dimethyl-1-oxido-1,3-diazinan-1-ium has a molecular weight of 130.19 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-oxido-1,3-diazinan-1-ium is sourced from PubChem (CID 18519068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).