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

C21H33N3O3 — CID 7048927

IUPAC1,3-dicyclohexyl-5-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)C/N=C/C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C21H33N3O3/c1-15(2)13-22-14-18-19(25)23(16-9-5-3-6-10-16)21(27)24(20(18)26)17-11-7-4-8-12-17/h14-18H,3-13H2,1-2H3/b22-14+
InChIKeyZRYZVIVUWZMWFS-HYARGMPZSA-N
MW375.51 g/mol
LogP3.79
Rot. Bonds5

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

1,3-dicyclohexyl-5-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7048927) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dicyclohexyl-5-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7048927
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name1,3-dicyclohexyl-5-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)C/N=C/C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C21H33N3O3/c1-15(2)13-22-14-18-19(25)23(16-9-5-3-6-10-16)21(27)24(20(18)26)17-11-7-4-8-12-17/h14-18H,3-13H2,1-2H3/b22-14+
InChIKeyZRYZVIVUWZMWFS-HYARGMPZSA-N
XLogP3.79
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.79
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

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-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7048924
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
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-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dicyclohexyl-5-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7048927) is 1,3-dicyclohexyl-5-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dicyclohexyl-5-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dicyclohexyl-5-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione is CC(C)C/N=C/C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1,3-dicyclohexyl-5-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is ZRYZVIVUWZMWFS-HYARGMPZSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-15(2)13-22-14-18-19(25)23(16-9-5-3-6-10-16)21(27)24(20(18)26)17-11-7-4-8-12-17/h14-18H,3-13H2,1-2H3/b22-14+.
What are the key properties of 1,3-dicyclohexyl-5-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione?
1,3-dicyclohexyl-5-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 375.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-5-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7048927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).