1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione

C15H24N2O3 — CID 115948827

IUPAC1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(C2CCCC(C)(C)C2)C1=O
InChIInChI=1S/C15H24N2O3/c1-4-6-11-12(18)16-14(20)17(13(11)19)10-7-5-8-15(2,3)9-10/h10-11H,4-9H2,1-3H3,(H,16,18,20)
InChIKeyMOKPQROZCVLFDP-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.45
Rot. Bonds3

About 1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione

1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 115948827) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID115948827
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(C2CCCC(C)(C)C2)C1=O
InChIInChI=1S/C15H24N2O3/c1-4-6-11-12(18)16-14(20)17(13(11)19)10-7-5-8-15(2,3)9-10/h10-11H,4-9H2,1-3H3,(H,16,18,20)
InChIKeyMOKPQROZCVLFDP-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.45
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

1-(1-methylpyrrolidin-3-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112600076
1-(3,3-dimethylcyclohexyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112601318
1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948943
1-(3,3-dimethylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 112598129
1-(2,4-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948158
3-(3,3-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83268080
3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one
CID 83270636
1-(1-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112599308
1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 114112529
1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948017
5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide
CID 106236626
1-[(5-oxopyrrolidin-2-yl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 112601053

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione (CID 115948827) is 1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1C(=O)NC(=O)N(C2CCCC(C)(C)C2)C1=O.
What is the InChIKey of 1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is MOKPQROZCVLFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-6-11-12(18)16-14(20)17(13(11)19)10-7-5-8-15(2,3)9-10/h10-11H,4-9H2,1-3H3,(H,16,18,20).
What are the key properties of 1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione?
1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 280.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclohexyl)-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115948827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).