5-methyl-2-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxido-1,3-diazinane-1,3-diium

C15H22N2O2 — CID 163762008

IUPAC5-methyl-2-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxido-1,3-diazinane-1,3-diium
SMILESCC1Cc2ccc(C3[NH+]([O-])CC(C)C[NH+]3[O-])cc2C1
InChIInChI=1S/C15H22N2O2/c1-10-5-12-3-4-13(7-14(12)6-10)15-16(18)8-11(2)9-17(15)19/h3-4,7,10-11,15-17H,5-6,8-9H2,1-2H3
InChIKeyLYYVWFMHJQGSLD-UHFFFAOYSA-N
MW262.35 g/mol
LogP-0.17
Rot. Bonds1

About 5-methyl-2-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxido-1,3-diazinane-1,3-diium

5-methyl-2-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxido-1,3-diazinane-1,3-diium (PubChem CID 163762008) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-methyl-2-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxido-1,3-diazinane-1,3-diium.

Molecular Properties

Compound Name5-methyl-2-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxido-1,3-diazinane-1,3-diium
PubChem CID163762008
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-methyl-2-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxido-1,3-diazinane-1,3-diium
SMILESCC1Cc2ccc(C3[NH+]([O-])CC(C)C[NH+]3[O-])cc2C1
InChIInChI=1S/C15H22N2O2/c1-10-5-12-3-4-13(7-14(12)6-10)15-16(18)8-11(2)9-17(15)19/h3-4,7,10-11,15-17H,5-6,8-9H2,1-2H3
InChIKeyLYYVWFMHJQGSLD-UHFFFAOYSA-N
XLogP-0.17
TPSA55.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxido-1,3-diazinane-1,3-diium?
The IUPAC name of 5-methyl-2-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxido-1,3-diazinane-1,3-diium (CID 163762008) is 5-methyl-2-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxido-1,3-diazinane-1,3-diium.
What is the SMILES notation for 5-methyl-2-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxido-1,3-diazinane-1,3-diium?
The canonical SMILES for 5-methyl-2-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxido-1,3-diazinane-1,3-diium is CC1Cc2ccc(C3[NH+]([O-])CC(C)C[NH+]3[O-])cc2C1.
What is the InChIKey of 5-methyl-2-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxido-1,3-diazinane-1,3-diium?
The InChIKey is LYYVWFMHJQGSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-5-12-3-4-13(7-14(12)6-10)15-16(18)8-11(2)9-17(15)19/h3-4,7,10-11,15-17H,5-6,8-9H2,1-2H3.
What are the key properties of 5-methyl-2-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxido-1,3-diazinane-1,3-diium?
5-methyl-2-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxido-1,3-diazinane-1,3-diium has a molecular weight of 262.35 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxido-1,3-diazinane-1,3-diium is sourced from PubChem (CID 163762008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).