5-methyl-2-(4-methylphenyl)-1,3-diazinane

C12H18N2 — CID 20673851

IUPAC5-methyl-2-(4-methylphenyl)-1,3-diazinane
SMILESCc1ccc(C2NCC(C)CN2)cc1
InChIInChI=1S/C12H18N2/c1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12/h3-6,10,12-14H,7-8H2,1-2H3
InChIKeyLQYNQEANVUVGJJ-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.82
Rot. Bonds1

About 5-methyl-2-(4-methylphenyl)-1,3-diazinane

5-methyl-2-(4-methylphenyl)-1,3-diazinane (PubChem CID 20673851) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-1,3-diazinane.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-1,3-diazinane
PubChem CID20673851
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-methyl-2-(4-methylphenyl)-1,3-diazinane
SMILESCc1ccc(C2NCC(C)CN2)cc1
InChIInChI=1S/C12H18N2/c1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12/h3-6,10,12-14H,7-8H2,1-2H3
InChIKeyLQYNQEANVUVGJJ-UHFFFAOYSA-N
XLogP1.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(4-methylphenyl)-3-azabicyclo[4.1.0]heptane
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2-cyclobutyl-5-methyl-2-(4-methylphenyl)-1,3-diazinane
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(1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
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(2R)-2-(4-methylphenyl)pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-1,3-diazinane?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-1,3-diazinane (CID 20673851) is 5-methyl-2-(4-methylphenyl)-1,3-diazinane.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-1,3-diazinane?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-1,3-diazinane is Cc1ccc(C2NCC(C)CN2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-1,3-diazinane?
The InChIKey is LQYNQEANVUVGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-3-5-11(6-4-9)12-13-7-10(2)8-14-12/h3-6,10,12-14H,7-8H2,1-2H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-1,3-diazinane?
5-methyl-2-(4-methylphenyl)-1,3-diazinane has a molecular weight of 190.29 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-1,3-diazinane is sourced from PubChem (CID 20673851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).