1,3-bis(4,4-dimethylhex-5-enyl)-1,3-diazinane-2,4,6-trione

C20H32N2O3 — CID 59602730

IUPAC1,3-bis(4,4-dimethylhex-5-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CC(C)(C)CCCN1C(=O)CC(=O)N(CCCC(C)(C)C=C)C1=O
InChIInChI=1S/C20H32N2O3/c1-7-19(3,4)11-9-13-21-16(23)15-17(24)22(18(21)25)14-10-12-20(5,6)8-2/h7-8H,1-2,9-15H2,3-6H3
InChIKeyCPVHUDSGDUBBAN-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.15
Rot. Bonds10

About 1,3-bis(4,4-dimethylhex-5-enyl)-1,3-diazinane-2,4,6-trione

1,3-bis(4,4-dimethylhex-5-enyl)-1,3-diazinane-2,4,6-trione (PubChem CID 59602730) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1,3-bis(4,4-dimethylhex-5-enyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(4,4-dimethylhex-5-enyl)-1,3-diazinane-2,4,6-trione
PubChem CID59602730
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name1,3-bis(4,4-dimethylhex-5-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CC(C)(C)CCCN1C(=O)CC(=O)N(CCCC(C)(C)C=C)C1=O
InChIInChI=1S/C20H32N2O3/c1-7-19(3,4)11-9-13-21-16(23)15-17(24)22(18(21)25)14-10-12-20(5,6)8-2/h7-8H,1-2,9-15H2,3-6H3
InChIKeyCPVHUDSGDUBBAN-UHFFFAOYSA-N
XLogP4.15
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4,4-dimethylhex-5-enyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(4,4-dimethylhex-5-enyl)-1,3-diazinane-2,4,6-trione (CID 59602730) is 1,3-bis(4,4-dimethylhex-5-enyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(4,4-dimethylhex-5-enyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(4,4-dimethylhex-5-enyl)-1,3-diazinane-2,4,6-trione is C=CC(C)(C)CCCN1C(=O)CC(=O)N(CCCC(C)(C)C=C)C1=O.
What is the InChIKey of 1,3-bis(4,4-dimethylhex-5-enyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is CPVHUDSGDUBBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-7-19(3,4)11-9-13-21-16(23)15-17(24)22(18(21)25)14-10-12-20(5,6)8-2/h7-8H,1-2,9-15H2,3-6H3.
What are the key properties of 1,3-bis(4,4-dimethylhex-5-enyl)-1,3-diazinane-2,4,6-trione?
1,3-bis(4,4-dimethylhex-5-enyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 348.49 g/mol, XLogP of 4.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4,4-dimethylhex-5-enyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 59602730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).