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

C23H35N3O3 — CID 7048925

IUPAC1,3-dicyclohexyl-5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1C(/C=N/C2CCCCC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C23H35N3O3/c27-21-20(16-24-17-10-4-1-5-11-17)22(28)26(19-14-8-3-9-15-19)23(29)25(21)18-12-6-2-7-13-18/h16-20H,1-15H2/b24-16+
InChIKeyNCLUHOWFNDGVTB-LFVJCYFKSA-N
MW401.55 g/mol
LogP4.46
Rot. Bonds4

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

1,3-dicyclohexyl-5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7048925) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dicyclohexyl-5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7048925
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name1,3-dicyclohexyl-5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1C(/C=N/C2CCCCC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C23H35N3O3/c27-21-20(16-24-17-10-4-1-5-11-17)22(28)26(19-14-8-3-9-15-19)23(29)25(21)18-12-6-2-7-13-18/h16-20H,1-15H2/b24-16+
InChIKeyNCLUHOWFNDGVTB-LFVJCYFKSA-N
XLogP4.46
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,3-Dicyclohexyl-5-[(dimethylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione
CID 145922006
1,3-Dicyclohexyl-5-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 6983380
1,3-Dicyclohexyl-5-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7048924
1,3-Dicyclohexyl-5-(propyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7048926
1,3-Dicyclohexyl-5-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7048927
1,3-Dicyclohexyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7285083
1,3-Dicyclohexyl-5-(2-piperazin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7285084
Cycloheptyl-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium
CID 7307156
5-(Cycloheptyliminomethyl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione
CID 7307157
1,3-Dicyclohexyl-5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 8032717

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dicyclohexyl-5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7048925) is 1,3-dicyclohexyl-5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dicyclohexyl-5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dicyclohexyl-5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione is O=C1C(/C=N/C2CCCCC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is NCLUHOWFNDGVTB-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H35N3O3/c27-21-20(16-24-17-10-4-1-5-11-17)22(28)26(19-14-8-3-9-15-19)23(29)25(21)18-12-6-2-7-13-18/h16-20H,1-15H2/b24-16+.
What are the key properties of 1,3-dicyclohexyl-5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione?
1,3-dicyclohexyl-5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 401.55 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7048925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).