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

C11H19N3O2 — CID 138987958

IUPAC5-ethyl-6-imino-5-pentan-2-yl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\NC(=O)NC(=O)C1(CC)C(C)CCC
InChIInChI=1S/C11H19N3O2/c1-4-6-7(3)11(5-2)8(12)13-10(16)14-9(11)15/h7H,4-6H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyCLQPRFRZKLHZSC-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.64
Rot. Bonds4

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

5-ethyl-6-imino-5-pentan-2-yl-1,3-diazinane-2,4-dione (PubChem CID 138987958) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-ethyl-6-imino-5-pentan-2-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-imino-5-pentan-2-yl-1,3-diazinane-2,4-dione
PubChem CID138987958
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-ethyl-6-imino-5-pentan-2-yl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\NC(=O)NC(=O)C1(CC)C(C)CCC
InChIInChI=1S/C11H19N3O2/c1-4-6-7(3)11(5-2)8(12)13-10(16)14-9(11)15/h7H,4-6H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyCLQPRFRZKLHZSC-UHFFFAOYSA-N
XLogP1.64
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.64
H-Bond Donors ≤ 53
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-ethyl-6-imino-5-pentan-2-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-ethyl-6-imino-5-pentan-2-yl-1,3-diazinane-2,4-dione (CID 138987958) is 5-ethyl-6-imino-5-pentan-2-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-ethyl-6-imino-5-pentan-2-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-ethyl-6-imino-5-pentan-2-yl-1,3-diazinane-2,4-dione is [H]/N=C1\NC(=O)NC(=O)C1(CC)C(C)CCC.
What is the InChIKey of 5-ethyl-6-imino-5-pentan-2-yl-1,3-diazinane-2,4-dione?
The InChIKey is CLQPRFRZKLHZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-6-7(3)11(5-2)8(12)13-10(16)14-9(11)15/h7H,4-6H2,1-3H3,(H3,12,13,14,15,16).
What are the key properties of 5-ethyl-6-imino-5-pentan-2-yl-1,3-diazinane-2,4-dione?
5-ethyl-6-imino-5-pentan-2-yl-1,3-diazinane-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-imino-5-pentan-2-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 138987958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).