1-cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione

C17H28N4O3 — CID 7367155

IUPAC1-cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CC/N=C/C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C17H28N4O3/c1-3-20(4-2)11-10-18-12-14-15(22)19-17(24)21(16(14)23)13-8-6-5-7-9-13/h12-14H,3-11H2,1-2H3,(H,19,22,24)/b18-12+
InChIKeyZWKQXUOMYHTSHM-LDADJPATSA-N
MW336.44 g/mol
LogP1.43
Rot. Bonds7

About 1-cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione

1-cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7367155) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
PubChem CID7367155
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CC/N=C/C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C17H28N4O3/c1-3-20(4-2)11-10-18-12-14-15(22)19-17(24)21(16(14)23)13-8-6-5-7-9-13/h12-14H,3-11H2,1-2H3,(H,19,22,24)/b18-12+
InChIKeyZWKQXUOMYHTSHM-LDADJPATSA-N
XLogP1.43
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione (CID 7367155) is 1-cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione is CCN(CC)CC/N=C/C1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is ZWKQXUOMYHTSHM-LDADJPATSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-20(4-2)11-10-18-12-14-15(22)19-17(24)21(16(14)23)13-8-6-5-7-9-13/h12-14H,3-11H2,1-2H3,(H,19,22,24)/b18-12+.
What are the key properties of 1-cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 336.44 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7367155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).