5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione

C14H24N2O3 — CID 90679577

IUPAC5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione
SMILESCCCCC1(C(C)C(C)(C)C)C(=O)NC(=O)NC1=O
InChIInChI=1S/C14H24N2O3/c1-6-7-8-14(9(2)13(3,4)5)10(17)15-12(19)16-11(14)18/h9H,6-8H2,1-5H3,(H2,15,16,17,18,19)
InChIKeyDTTVVKNADBHJKB-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.21
Rot. Bonds4

About 5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione

5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 90679577) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione
PubChem CID90679577
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione
SMILESCCCCC1(C(C)C(C)(C)C)C(=O)NC(=O)NC1=O
InChIInChI=1S/C14H24N2O3/c1-6-7-8-14(9(2)13(3,4)5)10(17)15-12(19)16-11(14)18/h9H,6-8H2,1-5H3,(H2,15,16,17,18,19)
InChIKeyDTTVVKNADBHJKB-UHFFFAOYSA-N
XLogP2.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(Z,2S)-pent-3-en-2-yl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 92524100
5,5-dihexyl-1,3-diazinane-2,4,6-trione
CID 15536734
sodium 5-butyl-4,6-dioxo-5-propan-2-yl-1H-pyrimidin-2-olate
CID 23703922
sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride
CID 173189640
tert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate
CID 118541156
5-(2-hydroxypropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 528894
5-[(2R)-butan-2-yl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 76959567
5-(1-butylsulfanylethyl)-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033438
5-octyl-5-pentylimidazolidine-2,4-dione
CID 21324142
5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione;hydrofluoride
CID 70470534
5-(butylsulfanylmethyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 23622371
sodium 5-butyl-6-oxo-5-(1-pentylsulfanylethyl)-2-sulfanylidenepyrimidin-4-olate
CID 23706627

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione (CID 90679577) is 5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione is CCCCC1(C(C)C(C)(C)C)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is DTTVVKNADBHJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-6-7-8-14(9(2)13(3,4)5)10(17)15-12(19)16-11(14)18/h9H,6-8H2,1-5H3,(H2,15,16,17,18,19).
What are the key properties of 5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione?
5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 268.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 90679577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).