5-(cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C12H17N3O3 — CID 7302964

IUPAC5-(cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(/C=N/C2CCCC2)C(=O)N(C)C1=O
InChIInChI=1S/C12H17N3O3/c1-14-10(16)9(11(17)15(2)12(14)18)7-13-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3/b13-7+
InChIKeyNBQFKSOSNJCDHR-NTUHNPAUSA-N
MW251.29 g/mol
LogP0.67
Rot. Bonds2

About 5-(cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-(cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 7302964) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-(cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID7302964
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-(cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(/C=N/C2CCCC2)C(=O)N(C)C1=O
InChIInChI=1S/C12H17N3O3/c1-14-10(16)9(11(17)15(2)12(14)18)7-13-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3/b13-7+
InChIKeyNBQFKSOSNJCDHR-NTUHNPAUSA-N
XLogP0.67
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.67
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

5-[[(2S)-butan-2-yl]iminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6944504
5-(Butyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7029494
1,3-Dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7029525
5-[[(2R)-butan-2-yl]iminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7029533
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-(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
5-(Cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7313217
5-[3-(Dimethylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7368085
5-(Ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7410880
(5S)-5-(cyclopropyliminomethyl)-1-hexyl-1,3-diazinane-2,4,6-trione
CID 7461385

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 7302964) is 5-(cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(/C=N/C2CCCC2)C(=O)N(C)C1=O.
What is the InChIKey of 5-(cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is NBQFKSOSNJCDHR-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-14-10(16)9(11(17)15(2)12(14)18)7-13-8-5-3-4-6-8/h7-9H,3-6H2,1-2H3/b13-7+.
What are the key properties of 5-(cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-(cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 251.29 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7302964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).