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

C24H37N3O3 — CID 7307157

IUPAC5-(cycloheptyliminomethyl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione
SMILESO=C1C(/C=N/C2CCCCCC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C24H37N3O3/c28-22-21(17-25-18-11-5-1-2-6-12-18)23(29)27(20-15-9-4-10-16-20)24(30)26(22)19-13-7-3-8-14-19/h17-21H,1-16H2/b25-17+
InChIKeyPYCGRQWOMHWNBG-KOEQRZSOSA-N
MW415.58 g/mol
LogP4.85
Rot. Bonds4

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

5-(cycloheptyliminomethyl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione (PubChem CID 7307157) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 5-(cycloheptyliminomethyl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(cycloheptyliminomethyl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione
PubChem CID7307157
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name5-(cycloheptyliminomethyl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione
SMILESO=C1C(/C=N/C2CCCCCC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C24H37N3O3/c28-22-21(17-25-18-11-5-1-2-6-12-18)23(29)27(20-15-9-4-10-16-20)24(30)26(22)19-13-7-3-8-14-19/h17-21H,1-16H2/b25-17+
InChIKeyPYCGRQWOMHWNBG-KOEQRZSOSA-N
XLogP4.85
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.85
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-(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
1,3-Dicyclohexyl-5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 8032717

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptyliminomethyl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(cycloheptyliminomethyl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione (CID 7307157) is 5-(cycloheptyliminomethyl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(cycloheptyliminomethyl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(cycloheptyliminomethyl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione is O=C1C(/C=N/C2CCCCCC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1.
What is the InChIKey of 5-(cycloheptyliminomethyl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione?
The InChIKey is PYCGRQWOMHWNBG-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H37N3O3/c28-22-21(17-25-18-11-5-1-2-6-12-18)23(29)27(20-15-9-4-10-16-20)24(30)26(22)19-13-7-3-8-14-19/h17-21H,1-16H2/b25-17+.
What are the key properties of 5-(cycloheptyliminomethyl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione?
5-(cycloheptyliminomethyl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione has a molecular weight of 415.58 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptyliminomethyl)-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7307157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).