cyclohexyl-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium

C11H16N3O3+ — CID 7059766

IUPACcyclohexyl-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium
SMILESO=C1NC(=O)C(/C=[NH+]/C2CCCCC2)C(=O)N1
InChIInChI=1S/C11H15N3O3/c15-9-8(10(16)14-11(17)13-9)6-12-7-4-2-1-3-5-7/h6-8H,1-5H2,(H2,13,14,15,16,17)/p+1/b12-6+
InChIKeyYACIATPBMBTLFT-WUXMJOGZSA-O
MW238.27 g/mol
LogP-1.55
Rot. Bonds2

About cyclohexyl-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium

cyclohexyl-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium (PubChem CID 7059766) has the molecular formula C11H16N3O3+ and a molecular weight of 238.27 g/mol. Its IUPAC name is cyclohexyl-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium.

Molecular Properties

Compound Namecyclohexyl-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium
PubChem CID7059766
Molecular FormulaC11H16N3O3+
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Namecyclohexyl-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium
SMILESO=C1NC(=O)C(/C=[NH+]/C2CCCCC2)C(=O)N1
InChIInChI=1S/C11H15N3O3/c15-9-8(10(16)14-11(17)13-9)6-12-7-4-2-1-3-5-7/h6-8H,1-5H2,(H2,13,14,15,16,17)/p+1/b12-6+
InChIKeyYACIATPBMBTLFT-WUXMJOGZSA-O
XLogP-1.55
TPSA89.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[[(2S)-butan-2-yl]iminomethyl]-1,3-diazinane-2,4,6-trione
CID 6924062
5-(Hexyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7029530
5-[[(2R)-butan-2-yl]iminomethyl]-1,3-diazinane-2,4,6-trione
CID 7029620
5-(4-Methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7029623
5-(Cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7059767
Cyclohexyl-[3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl]azanium
CID 7285010
5-[3-(Cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7285011
2-[(1-Cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-diethylazanium
CID 7367154
1-Cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7367155
2-[(1-Cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium
CID 7367975
1-Cyclohexyl-5-[2-(dimethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7367976
3-[(1-Cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium
CID 7368115

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium?
The IUPAC name of cyclohexyl-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium (CID 7059766) is cyclohexyl-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium.
What is the SMILES notation for cyclohexyl-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium?
The canonical SMILES for cyclohexyl-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium is O=C1NC(=O)C(/C=[NH+]/C2CCCCC2)C(=O)N1.
What is the InChIKey of cyclohexyl-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium?
The InChIKey is YACIATPBMBTLFT-WUXMJOGZSA-O. The full InChI is InChI=1S/C11H15N3O3/c15-9-8(10(16)14-11(17)13-9)6-12-7-4-2-1-3-5-7/h6-8H,1-5H2,(H2,13,14,15,16,17)/p+1/b12-6+.
What are the key properties of cyclohexyl-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium?
cyclohexyl-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium has a molecular weight of 238.27 g/mol, XLogP of -1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium is sourced from PubChem (CID 7059766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).