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

C16H24N2 — CID 163781563

IUPAC2-cyclobutyl-5-methyl-2-(4-methylphenyl)-1,3-diazinane
SMILESCc1ccc(C2(C3CCC3)NCC(C)CN2)cc1
InChIInChI=1S/C16H24N2/c1-12-6-8-15(9-7-12)16(14-4-3-5-14)17-10-13(2)11-18-16/h6-9,13-14,17-18H,3-5,10-11H2,1-2H3
InChIKeyMOZWTXJIRJZUDK-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.78
Rot. Bonds2

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

2-cyclobutyl-5-methyl-2-(4-methylphenyl)-1,3-diazinane (PubChem CID 163781563) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-cyclobutyl-5-methyl-2-(4-methylphenyl)-1,3-diazinane.

Molecular Properties

Compound Name2-cyclobutyl-5-methyl-2-(4-methylphenyl)-1,3-diazinane
PubChem CID163781563
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-cyclobutyl-5-methyl-2-(4-methylphenyl)-1,3-diazinane
SMILESCc1ccc(C2(C3CCC3)NCC(C)CN2)cc1
InChIInChI=1S/C16H24N2/c1-12-6-8-15(9-7-12)16(14-4-3-5-14)17-10-13(2)11-18-16/h6-9,13-14,17-18H,3-5,10-11H2,1-2H3
InChIKeyMOZWTXJIRJZUDK-UHFFFAOYSA-N
XLogP2.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-methyl-2-(4-methylphenyl)-1,3-diazinane?
The IUPAC name of 2-cyclobutyl-5-methyl-2-(4-methylphenyl)-1,3-diazinane (CID 163781563) is 2-cyclobutyl-5-methyl-2-(4-methylphenyl)-1,3-diazinane.
What is the SMILES notation for 2-cyclobutyl-5-methyl-2-(4-methylphenyl)-1,3-diazinane?
The canonical SMILES for 2-cyclobutyl-5-methyl-2-(4-methylphenyl)-1,3-diazinane is Cc1ccc(C2(C3CCC3)NCC(C)CN2)cc1.
What is the InChIKey of 2-cyclobutyl-5-methyl-2-(4-methylphenyl)-1,3-diazinane?
The InChIKey is MOZWTXJIRJZUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-6-8-15(9-7-12)16(14-4-3-5-14)17-10-13(2)11-18-16/h6-9,13-14,17-18H,3-5,10-11H2,1-2H3.
What are the key properties of 2-cyclobutyl-5-methyl-2-(4-methylphenyl)-1,3-diazinane?
2-cyclobutyl-5-methyl-2-(4-methylphenyl)-1,3-diazinane has a molecular weight of 244.38 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-methyl-2-(4-methylphenyl)-1,3-diazinane is sourced from PubChem (CID 163781563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).