1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione

C13H22N2O3 — CID 112600366

IUPAC1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCCCC(C)N1C(=O)NC(=O)C(C(C)C)C1=O
InChIInChI=1S/C13H22N2O3/c1-5-6-7-9(4)15-12(17)10(8(2)3)11(16)14-13(15)18/h8-10H,5-7H2,1-4H3,(H,14,16,18)
InChIKeyPSNMKJHNDKPXGQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.92
Rot. Bonds5

About 1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione

1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 112600366) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID112600366
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCCCC(C)N1C(=O)NC(=O)C(C(C)C)C1=O
InChIInChI=1S/C13H22N2O3/c1-5-6-7-9(4)15-12(17)10(8(2)3)11(16)14-13(15)18/h8-10H,5-7H2,1-4H3,(H,14,16,18)
InChIKeyPSNMKJHNDKPXGQ-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.92
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-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112599235
1-(4-methylpentan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112599238
1-(1-methylsulfonylpropan-2-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112600923
3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione
CID 64969099
3-cyclopropyl-6-ethyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64968978
1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969088
6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83252507
1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112599321
1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969050
5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione
CID 115947516
1-heptan-2-ylpyrrole-2,5-dione
CID 22388775
3-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)propane-1-sulfonamide
CID 112599705

Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 112600366) is 1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is CCCCC(C)N1C(=O)NC(=O)C(C(C)C)C1=O.
What is the InChIKey of 1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is PSNMKJHNDKPXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-6-7-9(4)15-12(17)10(8(2)3)11(16)14-13(15)18/h8-10H,5-7H2,1-4H3,(H,14,16,18).
What are the key properties of 1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 254.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112600366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).