2,4,6-trimethyl-1-oxido-1,3-diazinan-1-ium

C7H16N2O — CID 163458014

IUPAC2,4,6-trimethyl-1-oxido-1,3-diazinan-1-ium
SMILESCC1CC(C)[NH+]([O-])C(C)N1
InChIInChI=1S/C7H16N2O/c1-5-4-6(2)9(10)7(3)8-5/h5-9H,4H2,1-3H3
InChIKeyBMCZUMCJRRULKF-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.51
Rot. Bonds

About 2,4,6-trimethyl-1-oxido-1,3-diazinan-1-ium

2,4,6-trimethyl-1-oxido-1,3-diazinan-1-ium (PubChem CID 163458014) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2,4,6-trimethyl-1-oxido-1,3-diazinan-1-ium.

Molecular Properties

Compound Name2,4,6-trimethyl-1-oxido-1,3-diazinan-1-ium
PubChem CID163458014
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2,4,6-trimethyl-1-oxido-1,3-diazinan-1-ium
SMILESCC1CC(C)[NH+]([O-])C(C)N1
InChIInChI=1S/C7H16N2O/c1-5-4-6(2)9(10)7(3)8-5/h5-9H,4H2,1-3H3
InChIKeyBMCZUMCJRRULKF-UHFFFAOYSA-N
XLogP-0.51
TPSA39.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-1-oxido-1,3-diazinan-1-ium?
The IUPAC name of 2,4,6-trimethyl-1-oxido-1,3-diazinan-1-ium (CID 163458014) is 2,4,6-trimethyl-1-oxido-1,3-diazinan-1-ium.
What is the SMILES notation for 2,4,6-trimethyl-1-oxido-1,3-diazinan-1-ium?
The canonical SMILES for 2,4,6-trimethyl-1-oxido-1,3-diazinan-1-ium is CC1CC(C)[NH+]([O-])C(C)N1.
What is the InChIKey of 2,4,6-trimethyl-1-oxido-1,3-diazinan-1-ium?
The InChIKey is BMCZUMCJRRULKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-5-4-6(2)9(10)7(3)8-5/h5-9H,4H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-1-oxido-1,3-diazinan-1-ium?
2,4,6-trimethyl-1-oxido-1,3-diazinan-1-ium has a molecular weight of 144.22 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-1-oxido-1,3-diazinan-1-ium is sourced from PubChem (CID 163458014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).