5-ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione

C11H19N3O2 — CID 135481767

IUPAC5-ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione
SMILESCCC1(CC(C)C)C(=O)NC(=NC)NC1=O
InChIInChI=1S/C11H19N3O2/c1-5-11(6-7(2)3)8(15)13-10(12-4)14-9(11)16/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyFZILGMZYYAUITP-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.66
Rot. Bonds3

About 5-ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione

5-ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione (PubChem CID 135481767) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione
PubChem CID135481767
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione
SMILESCCC1(CC(C)C)C(=O)NC(=NC)NC1=O
InChIInChI=1S/C11H19N3O2/c1-5-11(6-7(2)3)8(15)13-10(12-4)14-9(11)16/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyFZILGMZYYAUITP-UHFFFAOYSA-N
XLogP0.66
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione?
The IUPAC name of 5-ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione (CID 135481767) is 5-ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione is CCC1(CC(C)C)C(=O)NC(=NC)NC1=O.
What is the InChIKey of 5-ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione?
The InChIKey is FZILGMZYYAUITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-11(6-7(2)3)8(15)13-10(12-4)14-9(11)16/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16).
What are the key properties of 5-ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione?
5-ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione has a molecular weight of 225.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione is sourced from PubChem (CID 135481767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).