5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione

C11H19N3O2 — CID 56690465

IUPAC5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\N(C)C(=O)NC(=O)C1(CC)C(C)CC
InChIInChI=1S/C11H19N3O2/c1-5-7(3)11(6-2)8(12)14(4)10(16)13-9(11)15/h7,12H,5-6H2,1-4H3,(H,13,15,16)/b12-8-
InChIKeyKOHKOJLLJOOFFH-WQLSENKSSA-N
MW225.29 g/mol
LogP1.59
Rot. Bonds3

About 5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione

5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione (PubChem CID 56690465) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione
PubChem CID56690465
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\N(C)C(=O)NC(=O)C1(CC)C(C)CC
InChIInChI=1S/C11H19N3O2/c1-5-7(3)11(6-2)8(12)14(4)10(16)13-9(11)15/h7,12H,5-6H2,1-4H3,(H,13,15,16)/b12-8-
InChIKeyKOHKOJLLJOOFFH-WQLSENKSSA-N
XLogP1.59
TPSA73.26 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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione (CID 56690465) is 5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione is [H]/N=C1\N(C)C(=O)NC(=O)C1(CC)C(C)CC.
What is the InChIKey of 5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione?
The InChIKey is KOHKOJLLJOOFFH-WQLSENKSSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-7(3)11(6-2)8(12)14(4)10(16)13-9(11)15/h7,12H,5-6H2,1-4H3,(H,13,15,16)/b12-8-.
What are the key properties of 5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione?
5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 56690465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).