1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione

C21H34N2O3 — CID 13332

IUPAC1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C21H34N2O3/c1-2-3-6-15-18-19(24)22(16-11-7-4-8-12-16)21(26)23(20(18)25)17-13-9-5-10-14-17/h16-18H,2-15H2,1H3
InChIKeyFIGXAXHTWHEEOX-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.64
Rot. Bonds6

About 1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione

1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione (PubChem CID 13332) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione
PubChem CID13332
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C21H34N2O3/c1-2-3-6-15-18-19(24)22(16-11-7-4-8-12-16)21(26)23(20(18)25)17-13-9-5-10-14-17/h16-18H,2-15H2,1H3
InChIKeyFIGXAXHTWHEEOX-UHFFFAOYSA-N
XLogP4.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Barbituric acid, 1,3-dicyclohexyl-5-methyl-
CID 12922
Barbituric acid, 1,3-dicyclohexyl-5-propyl-
CID 12935
5-(Butan-2-yl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione
CID 12939
Barbituric acid, 1,3-dicyclohexyl-5-isobutyl-
CID 12940
Barbituric acid, 5-butyl-1,3-dicyclohexyl-
CID 12941
Barbituric acid, 1,5-dicyclohexyl-
CID 13306
1-Cyclohexyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 20162
3-Cyclohexyl-6-hydroxy-5-octylpyrimidine-2,4(3H,5H)-dione
CID 20255
Barbituric acid, 1,3-dicyclohexyl-5-isopropyl-
CID 120782
Barbituric acid, 1,3,5-tricyclohexyl-
CID 120787
Barbituric acid, 1,3-dicyclohexyl-5-(1-methylbutyl)-
CID 12944
Barbituric acid, 1-cyclohexyl-5-pentyl-
CID 13301

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione (CID 13332) is 1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione is CCCCCC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione?
The InChIKey is FIGXAXHTWHEEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-2-3-6-15-18-19(24)22(16-11-7-4-8-12-16)21(26)23(20(18)25)17-13-9-5-10-14-17/h16-18H,2-15H2,1H3.
What are the key properties of 1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione?
1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione has a molecular weight of 362.51 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-5-pentyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 13332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).