1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione

C11H18N2O3 — CID 67314603

IUPAC1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCC1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C11H18N2O3/c1-4-5-6-7-8-9(14)12(2)11(16)13(3)10(8)15/h8H,4-7H2,1-3H3
InChIKeySQFXZCMHIHPWTL-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.23
Rot. Bonds4

About 1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione (PubChem CID 67314603) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione
PubChem CID67314603
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCC1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C11H18N2O3/c1-4-5-6-7-8-9(14)12(2)11(16)13(3)10(8)15/h8H,4-7H2,1-3H3
InChIKeySQFXZCMHIHPWTL-UHFFFAOYSA-N
XLogP1.23
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione
CID 12954845
5-[(4-butoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 2294288
5-butyl-1-ethyl-1,3-dimethyl-1,3-diazinan-1-ium-2,4,6-trione
CID 23620142
3-nonyloxetane-2,4-dione
CID 87532887
calcium;dibutylstannane;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione
CID 175609484
3-decyl-1-methylpiperidin-2-one
CID 175348950
3-dodecyl-1-propylpyrrolidin-2-one
CID 10149503
3-pentyl-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 121221286
2-octylcyclohexane-1,3-dione
CID 102322610
hexane;pentylcyclopropane
CID 159592467
3-butyl-1-heptylaziridin-2-one
CID 23178730
5,7-dibutyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
CID 118596999

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione (CID 67314603) is 1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione is CCCCCC1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione?
The InChIKey is SQFXZCMHIHPWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-5-6-7-8-9(14)12(2)11(16)13(3)10(8)15/h8H,4-7H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione has a molecular weight of 226.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 67314603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).