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

C16H26N2O3 — CID 115948017

IUPAC1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(C(CC)C2CCCCC2)C1=O
InChIInChI=1S/C16H26N2O3/c1-3-8-12-14(19)17-16(21)18(15(12)20)13(4-2)11-9-6-5-7-10-11/h11-13H,3-10H2,1-2H3,(H,17,19,21)
InChIKeyDIILKXIEXWUAPP-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.84
Rot. Bonds5

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

1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 115948017) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID115948017
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(C(CC)C2CCCCC2)C1=O
InChIInChI=1S/C16H26N2O3/c1-3-8-12-14(19)17-16(21)18(15(12)20)13(4-2)11-9-6-5-7-10-11/h11-13H,3-10H2,1-2H3,(H,17,19,21)
InChIKeyDIILKXIEXWUAPP-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.84
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-cyclopropylethyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112599308
1-(4-methylpentan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112599238
3-(1-cyclohexylpropyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one
CID 83249303
1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione
CID 64969313
3-(1-cyclohexylpropyl)-5-methyl-2-propylimidazolidin-4-one
CID 83255425
1-(1-methylsulfonylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112600923
methyl 3-methyl-2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanoate
CID 115947465
1-[1-(4-chlorophenyl)ethyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 115947305
1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64969277
6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83255509
1-(2-cyclopropylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 114112529
8-(1-cyclohexylpropyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62738750

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione (CID 115948017) is 1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1C(=O)NC(=O)N(C(CC)C2CCCCC2)C1=O.
What is the InChIKey of 1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is DIILKXIEXWUAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-8-12-14(19)17-16(21)18(15(12)20)13(4-2)11-9-6-5-7-10-11/h11-13H,3-10H2,1-2H3,(H,17,19,21).
What are the key properties of 1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione?
1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 294.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115948017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).