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

C15H27N3O2 — CID 135565355

IUPAC5-ethyl-1-methyl-5-pentan-2-yl-2-propylimino-1,3-diazinane-4,6-dione
SMILESCCC/N=C1\NC(=O)C(CC)(C(C)CCC)C(=O)N1C
InChIInChI=1S/C15H27N3O2/c1-6-9-11(4)15(8-3)12(19)17-14(16-10-7-2)18(5)13(15)20/h11H,6-10H2,1-5H3,(H,16,17,19)
InChIKeyRREMJZRELDFNLO-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.17
Rot. Bonds6

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

5-ethyl-1-methyl-5-pentan-2-yl-2-propylimino-1,3-diazinane-4,6-dione (PubChem CID 135565355) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-ethyl-1-methyl-5-pentan-2-yl-2-propylimino-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-ethyl-1-methyl-5-pentan-2-yl-2-propylimino-1,3-diazinane-4,6-dione
PubChem CID135565355
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name5-ethyl-1-methyl-5-pentan-2-yl-2-propylimino-1,3-diazinane-4,6-dione
SMILESCCC/N=C1\NC(=O)C(CC)(C(C)CCC)C(=O)N1C
InChIInChI=1S/C15H27N3O2/c1-6-9-11(4)15(8-3)12(19)17-14(16-10-7-2)18(5)13(15)20/h11H,6-10H2,1-5H3,(H,16,17,19)
InChIKeyRREMJZRELDFNLO-UHFFFAOYSA-N
XLogP2.17
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
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-1-methyl-5-pentan-2-yl-2-propylimino-1,3-diazinane-4,6-dione?
The IUPAC name of 5-ethyl-1-methyl-5-pentan-2-yl-2-propylimino-1,3-diazinane-4,6-dione (CID 135565355) is 5-ethyl-1-methyl-5-pentan-2-yl-2-propylimino-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-ethyl-1-methyl-5-pentan-2-yl-2-propylimino-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-ethyl-1-methyl-5-pentan-2-yl-2-propylimino-1,3-diazinane-4,6-dione is CCC/N=C1\NC(=O)C(CC)(C(C)CCC)C(=O)N1C.
What is the InChIKey of 5-ethyl-1-methyl-5-pentan-2-yl-2-propylimino-1,3-diazinane-4,6-dione?
The InChIKey is RREMJZRELDFNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-9-11(4)15(8-3)12(19)17-14(16-10-7-2)18(5)13(15)20/h11H,6-10H2,1-5H3,(H,16,17,19).
What are the key properties of 5-ethyl-1-methyl-5-pentan-2-yl-2-propylimino-1,3-diazinane-4,6-dione?
5-ethyl-1-methyl-5-pentan-2-yl-2-propylimino-1,3-diazinane-4,6-dione has a molecular weight of 281.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-5-pentan-2-yl-2-propylimino-1,3-diazinane-4,6-dione is sourced from PubChem (CID 135565355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).