2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane

C24H32N2O — CID 163958055

IUPAC2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane
SMILESCOc1ccc(-c2ccc(C3(C4CCCCC4)NCC(C)CN3)cc2)cc1
InChIInChI=1S/C24H32N2O/c1-18-16-25-24(26-17-18,21-6-4-3-5-7-21)22-12-8-19(9-13-22)20-10-14-23(27-2)15-11-20/h8-15,18,21,25-26H,3-7,16-17H2,1-2H3
InChIKeySFCWOLIEBWNRRS-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.92
Rot. Bonds4

About 2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane

2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane (PubChem CID 163958055) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane.

Molecular Properties

Compound Name2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane
PubChem CID163958055
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane
SMILESCOc1ccc(-c2ccc(C3(C4CCCCC4)NCC(C)CN3)cc2)cc1
InChIInChI=1S/C24H32N2O/c1-18-16-25-24(26-17-18,21-6-4-3-5-7-21)22-12-8-19(9-13-22)20-10-14-23(27-2)15-11-20/h8-15,18,21,25-26H,3-7,16-17H2,1-2H3
InChIKeySFCWOLIEBWNRRS-UHFFFAOYSA-N
XLogP4.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane?
The IUPAC name of 2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane (CID 163958055) is 2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane.
What is the SMILES notation for 2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane?
The canonical SMILES for 2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane is COc1ccc(-c2ccc(C3(C4CCCCC4)NCC(C)CN3)cc2)cc1.
What is the InChIKey of 2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane?
The InChIKey is SFCWOLIEBWNRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-18-16-25-24(26-17-18,21-6-4-3-5-7-21)22-12-8-19(9-13-22)20-10-14-23(27-2)15-11-20/h8-15,18,21,25-26H,3-7,16-17H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane?
2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane has a molecular weight of 364.53 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[4-(4-methoxyphenyl)phenyl]-5-methyl-1,3-diazinane is sourced from PubChem (CID 163958055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).