1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione

C13H20N2O3 — CID 13459

IUPAC1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h9-10H,2-8H2,1H3,(H,14,16,18)
InChIKeyRXDPKNUSKRDQNV-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.81
Rot. Bonds3

About 1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione

1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 13459) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID13459
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C13H20N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h9-10H,2-8H2,1H3,(H,14,16,18)
InChIKeyRXDPKNUSKRDQNV-UHFFFAOYSA-N
XLogP1.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bucolome
CID 2461
N~1~-cyclohexyl-1,3-piperidinedicarboxamide
CID 2947158
1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 3222855
1-Cyclohexyl-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
CID 71678006
1-Cyclohexyl-5-ethylbarbituric acid
CID 13276
1-cyclohexylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 3155800
Piperidine-1,3-dicarboxylic acid 3-sec-butylamide 1-cyclohexylamide
CID 3222852
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
3-Cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4(3H,5H)-dione
CID 13267

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione (CID 13459) is 1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is RXDPKNUSKRDQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h9-10H,2-8H2,1H3,(H,14,16,18).
What are the key properties of 1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 252.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 13459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).