1-cyclohexyl-3-hexan-3-yl-5-methyl-1,3,5-triazinane-2,4,6-trione

C16H27N3O3 — CID 143762866

IUPAC1-cyclohexyl-3-hexan-3-yl-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCCCC(CC)n1c(=O)n(C)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C16H27N3O3/c1-4-9-12(5-2)18-14(20)17(3)15(21)19(16(18)22)13-10-7-6-8-11-13/h12-13H,4-11H2,1-3H3
InChIKeyGHGMOXQXPPYOAY-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.97
Rot. Bonds5

About 1-cyclohexyl-3-hexan-3-yl-5-methyl-1,3,5-triazinane-2,4,6-trione

1-cyclohexyl-3-hexan-3-yl-5-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 143762866) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-hexan-3-yl-5-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-3-hexan-3-yl-5-methyl-1,3,5-triazinane-2,4,6-trione
PubChem CID143762866
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name1-cyclohexyl-3-hexan-3-yl-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCCCC(CC)n1c(=O)n(C)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C16H27N3O3/c1-4-9-12(5-2)18-14(20)17(3)15(21)19(16(18)22)13-10-7-6-8-11-13/h12-13H,4-11H2,1-3H3
InChIKeyGHGMOXQXPPYOAY-UHFFFAOYSA-N
XLogP1.97
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-hexan-3-yl-5-methyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-3-hexan-3-yl-5-methyl-1,3,5-triazinane-2,4,6-trione (CID 143762866) is 1-cyclohexyl-3-hexan-3-yl-5-methyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-3-hexan-3-yl-5-methyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-3-hexan-3-yl-5-methyl-1,3,5-triazinane-2,4,6-trione is CCCC(CC)n1c(=O)n(C)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 1-cyclohexyl-3-hexan-3-yl-5-methyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is GHGMOXQXPPYOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-4-9-12(5-2)18-14(20)17(3)15(21)19(16(18)22)13-10-7-6-8-11-13/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-hexan-3-yl-5-methyl-1,3,5-triazinane-2,4,6-trione?
1-cyclohexyl-3-hexan-3-yl-5-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 309.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-hexan-3-yl-5-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 143762866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).