5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione

C11H15N3O3 — CID 7059767

IUPAC5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(/C=N/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)/b12-6+
InChIKeyYACIATPBMBTLFT-WUXMJOGZSA-N
MW237.26 g/mol
LogP0.37
Rot. Bonds2

About 5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione

5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7059767) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7059767
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(/C=N/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)/b12-6+
InChIKeyYACIATPBMBTLFT-WUXMJOGZSA-N
XLogP0.37
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(cycloheptyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7596433
(5S)-5-(cycloheptyliminomethyl)-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7056129
(5R)-5-(cyclohexyliminomethyl)-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7430403
5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7367811
N-cyclopentyl-1-cyclopropylmethanimine
CID 135072127
5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-1-cyclohexyl-1,3-diazinane-2,4,6-trione
CID 7301613
2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetic acid
CID 7000657
2-cyclohexyliminoacetaldehyde
CID 87851899
5,5-dimethyl-2-[(4-methylcyclohexyl)iminomethyl]cyclohexane-1,3-dione
CID 7431566
2-cyclohexylimino-1,3-thiazolidin-4-one
CID 135416648
3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one
CID 7059807
diethyl-[3-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl]azanium
CID 7059758

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7059767) is 5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(/C=N/C2CCCCC2)C(=O)N1.
What is the InChIKey of 5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is YACIATPBMBTLFT-WUXMJOGZSA-N. 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)/b12-6+.
What are the key properties of 5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione?
5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 237.26 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7059767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).