sodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione

C11H19N2NaO3 — CID 175394828

IUPACsodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione
SMILESCCCC(C)CCC1C(=O)NC(=O)NC1=O.[H-].[Na+]
InChIInChI=1S/C11H18N2O3.Na.H/c1-3-4-7(2)5-6-8-9(14)12-11(16)13-10(8)15;;/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15,16);;/q;+1;-1
InChIKeyALNQGXTUGXFBDV-UHFFFAOYSA-N
MW250.27 g/mol
LogP-1.70
Rot. Bonds5

About sodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione

sodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione (PubChem CID 175394828) has the molecular formula C11H19N2NaO3 and a molecular weight of 250.27 g/mol. Its IUPAC name is sodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Namesodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione
PubChem CID175394828
Molecular FormulaC11H19N2NaO3
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Namesodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione
SMILESCCCC(C)CCC1C(=O)NC(=O)NC1=O.[H-].[Na+]
InChIInChI=1S/C11H18N2O3.Na.H/c1-3-4-7(2)5-6-8-9(14)12-11(16)13-10(8)15;;/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15,16);;/q;+1;-1
InChIKeyALNQGXTUGXFBDV-UHFFFAOYSA-N
XLogP-1.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 5-1.70
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

CID 164960414
CID 164960414
5-[4-(hydroxyamino)-3-methylbutyl]-1,3-diazinane-2,4,6-trione
CID 118541143
CID 66970234
CID 66970234
sodium;5-(2-ethoxyethyl)-1,3-diazinane-2,4,6-trione;hydride
CID 173201360
ethane;5-ethyl-1,3-diazinane-2,4,6-trione
CID 142836832
5-(2-aminoethyl)-1,3-diazinane-2,4,6-trione
CID 82647071
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
2-ethyl-6-(2,4,6-trioxo-1,3-diazinan-5-yl)hexanoic acid
CID 67798091
3-(2-methylpentyl)-1,3-dihydroindol-2-one
CID 106986975
5-[(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 5141165
sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride
CID 173189640

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of sodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione (CID 175394828) is sodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for sodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for sodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione is CCCC(C)CCC1C(=O)NC(=O)NC1=O.[H-].[Na+].
What is the InChIKey of sodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is ALNQGXTUGXFBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3.Na.H/c1-3-4-7(2)5-6-8-9(14)12-11(16)13-10(8)15;;/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15,16);;/q;+1;-1.
What are the key properties of sodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione?
sodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 250.27 g/mol, XLogP of -1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;5-(3-methylhexyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 175394828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).