5-[3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C18H27N3O3 — CID 58175139

IUPAC5-[3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)C1=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)CC(C)(C)C1
InChIInChI=1S/C18H27N3O3/c1-7-21(8-2)13-9-12(10-18(3,4)11-13)14-15(22)19(5)17(24)20(6)16(14)23/h9H,7-8,10-11H2,1-6H3
InChIKeyMDOKYGGHMNPBME-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.38
Rot. Bonds3

About 5-[3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 58175139) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 5-[3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID58175139
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name5-[3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)C1=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)CC(C)(C)C1
InChIInChI=1S/C18H27N3O3/c1-7-21(8-2)13-9-12(10-18(3,4)11-13)14-15(22)19(5)17(24)20(6)16(14)23/h9H,7-8,10-11H2,1-6H3
InChIKeyMDOKYGGHMNPBME-UHFFFAOYSA-N
XLogP2.38
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 58175139) is 5-[3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CCN(CC)C1=CC(=C2C(=O)N(C)C(=O)N(C)C2=O)CC(C)(C)C1.
What is the InChIKey of 5-[3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is MDOKYGGHMNPBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-7-21(8-2)13-9-12(10-18(3,4)11-13)14-15(22)19(5)17(24)20(6)16(14)23/h9H,7-8,10-11H2,1-6H3.
What are the key properties of 5-[3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 333.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 58175139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).