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

C20H29N3O3 — CID 6983380

IUPAC1,3-dicyclohexyl-5-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1C(/C=N/C2CC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C20H29N3O3/c24-18-17(13-21-14-11-12-14)19(25)23(16-9-5-2-6-10-16)20(26)22(18)15-7-3-1-4-8-15/h13-17H,1-12H2/b21-13+
InChIKeyAFCPCDVYVYMPHG-FYJGNVAPSA-N
MW359.47 g/mol
LogP3.29
Rot. Bonds4

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

1,3-dicyclohexyl-5-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 6983380) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dicyclohexyl-5-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID6983380
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1,3-dicyclohexyl-5-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1C(/C=N/C2CC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C20H29N3O3/c24-18-17(13-21-14-11-12-14)19(25)23(16-9-5-2-6-10-16)20(26)22(18)15-7-3-1-4-8-15/h13-17H,1-12H2/b21-13+
InChIKeyAFCPCDVYVYMPHG-FYJGNVAPSA-N
XLogP3.29
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.29
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
1,3-Dicyclohexyl-5-[(dimethylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione
CID 145922006
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
1,3-Dicyclohexyl-5-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7048927
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-Cyclohexyl-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7368116
1,3-dicyclohexyl-5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
CID 7431757
(5S)-5-(cyclopropyliminomethyl)-1-hexyl-1,3-diazinane-2,4,6-trione
CID 7461385
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-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dicyclohexyl-5-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 6983380) is 1,3-dicyclohexyl-5-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dicyclohexyl-5-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dicyclohexyl-5-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione is O=C1C(/C=N/C2CC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-5-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is AFCPCDVYVYMPHG-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-18-17(13-21-14-11-12-14)19(25)23(16-9-5-2-6-10-16)20(26)22(18)15-7-3-1-4-8-15/h13-17H,1-12H2/b21-13+.
What are the key properties of 1,3-dicyclohexyl-5-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione?
1,3-dicyclohexyl-5-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 359.47 g/mol, XLogP of 3.29, 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-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 6983380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).