5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride

C14H26ClN3O2 — CID 44827771

IUPAC5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride
SMILESCl.[H]/N=C1\N(C)C(=O)N(C)C(=O)C1(CCCC)CCCC
InChIInChI=1S/C14H25N3O2.ClH/c1-5-7-9-14(10-8-6-2)11(15)16(3)13(19)17(4)12(14)18;/h15H,5-10H2,1-4H3;1H/b15-11-;
InChIKeyZDLJDYNJDXOXNS-PNCOJPCNSA-N
MW303.83 g/mol
LogP3.28
Rot. Bonds6

About 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride

5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride (PubChem CID 44827771) has the molecular formula C14H26ClN3O2 and a molecular weight of 303.83 g/mol. Its IUPAC name is 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride
PubChem CID44827771
Molecular FormulaC14H26ClN3O2
Molecular Weight303.83 g/mol
Exact Mass303.17
IUPAC Name5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride
SMILESCl.[H]/N=C1\N(C)C(=O)N(C)C(=O)C1(CCCC)CCCC
InChIInChI=1S/C14H25N3O2.ClH/c1-5-7-9-14(10-8-6-2)11(15)16(3)13(19)17(4)12(14)18;/h15H,5-10H2,1-4H3;1H/b15-11-;
InChIKeyZDLJDYNJDXOXNS-PNCOJPCNSA-N
XLogP3.28
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.28
H-Bond Donors ≤ 51
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 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride?
The IUPAC name of 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride (CID 44827771) is 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride.
What is the SMILES notation for 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride?
The canonical SMILES for 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride is Cl.[H]/N=C1\N(C)C(=O)N(C)C(=O)C1(CCCC)CCCC.
What is the InChIKey of 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride?
The InChIKey is ZDLJDYNJDXOXNS-PNCOJPCNSA-N. The full InChI is InChI=1S/C14H25N3O2.ClH/c1-5-7-9-14(10-8-6-2)11(15)16(3)13(19)17(4)12(14)18;/h15H,5-10H2,1-4H3;1H/b15-11-;.
What are the key properties of 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride?
5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride is sourced from PubChem (CID 44827771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).