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

C22H35N3O3 — CID 7048924

IUPAC1,3-dicyclohexyl-5-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCCCCC/N=C/C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C22H35N3O3/c1-2-3-10-15-23-16-19-20(26)24(17-11-6-4-7-12-17)22(28)25(21(19)27)18-13-8-5-9-14-18/h16-19H,2-15H2,1H3/b23-16+
InChIKeyTVTCBIHAOWRVNA-XQNSMLJCSA-N
MW389.54 g/mol
LogP4.32
Rot. Bonds7

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

1,3-dicyclohexyl-5-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7048924) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dicyclohexyl-5-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7048924
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name1,3-dicyclohexyl-5-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCCCCC/N=C/C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C22H35N3O3/c1-2-3-10-15-23-16-19-20(26)24(17-11-6-4-7-12-17)22(28)25(21(19)27)18-13-8-5-9-14-18/h16-19H,2-15H2,1H3/b23-16+
InChIKeyTVTCBIHAOWRVNA-XQNSMLJCSA-N
XLogP4.32
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-dicyclohexyl-5-(pentyliminomethyl)-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

Barbituric acid, 1,3-dicyclohexyl-5-methyl-
CID 12922
Barbituric acid, 1,3-dicyclohexyl-5-ethyl-
CID 13325
5-(Cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7302964
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
5-(Hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7029622
1,3-Dicyclohexyl-5-(cyclohexyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7048925
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
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
Cycloheptyl-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium
CID 7307156

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-5-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dicyclohexyl-5-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7048924) is 1,3-dicyclohexyl-5-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dicyclohexyl-5-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dicyclohexyl-5-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione is CCCCC/N=C/C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1,3-dicyclohexyl-5-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is TVTCBIHAOWRVNA-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-2-3-10-15-23-16-19-20(26)24(17-11-6-4-7-12-17)22(28)25(21(19)27)18-13-8-5-9-14-18/h16-19H,2-15H2,1H3/b23-16+.
What are the key properties of 1,3-dicyclohexyl-5-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione?
1,3-dicyclohexyl-5-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 389.54 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-5-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7048924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).