1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione

C23H37N3O3 — CID 130410570

IUPAC1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(C2CCCCC2)c(=O)n(C2CCC(CC3CCCCC3)CC2)c1=O
InChIInChI=1S/C23H37N3O3/c1-24-21(27)25(19-10-6-3-7-11-19)23(29)26(22(24)28)20-14-12-18(13-15-20)16-17-8-4-2-5-9-17/h17-20H,2-16H2,1H3
InChIKeyJJASPWIJHHQXSN-UHFFFAOYSA-N
MW403.57 g/mol
LogP3.92
Rot. Bonds4

About 1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione

1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 130410570) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
PubChem CID130410570
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione
SMILESCn1c(=O)n(C2CCCCC2)c(=O)n(C2CCC(CC3CCCCC3)CC2)c1=O
InChIInChI=1S/C23H37N3O3/c1-24-21(27)25(19-10-6-3-7-11-19)23(29)26(22(24)28)20-14-12-18(13-15-20)16-17-8-4-2-5-9-17/h17-20H,2-16H2,1H3
InChIKeyJJASPWIJHHQXSN-UHFFFAOYSA-N
XLogP3.92
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione (CID 130410570) is 1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione is Cn1c(=O)n(C2CCCCC2)c(=O)n(C2CCC(CC3CCCCC3)CC2)c1=O.
What is the InChIKey of 1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is JJASPWIJHHQXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-24-21(27)25(19-10-6-3-7-11-19)23(29)26(22(24)28)20-14-12-18(13-15-20)16-17-8-4-2-5-9-17/h17-20H,2-16H2,1H3.
What are the key properties of 1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione?
1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 403.57 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]-5-methyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 130410570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).