1-cyclohexyl-5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione

C18H29N4O4+ — CID 7461712

IUPAC1-cyclohexyl-5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\CC[NH+]1CCOCC1)C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H28N4O4/c1-13(19-7-8-21-9-11-26-12-10-21)15-16(23)20-18(25)22(17(15)24)14-5-3-2-4-6-14/h14-15H,2-12H2,1H3,(H,20,23,25)/p+1/b19-13+
InChIKeyZVBVXXWVIKKWCJ-CPNJWEJPSA-O
MW365.45 g/mol
LogP-0.61
Rot. Bonds5

About 1-cyclohexyl-5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione

1-cyclohexyl-5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7461712) has the molecular formula C18H29N4O4+ and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-cyclohexyl-5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
PubChem CID7461712
Molecular FormulaC18H29N4O4+
Molecular Weight365.45 g/mol
Exact Mass365.22
IUPAC Name1-cyclohexyl-5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\CC[NH+]1CCOCC1)C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C18H28N4O4/c1-13(19-7-8-21-9-11-26-12-10-21)15-16(23)20-18(25)22(17(15)24)14-5-3-2-4-6-14/h14-15H,2-12H2,1H3,(H,20,23,25)/p+1/b19-13+
InChIKeyZVBVXXWVIKKWCJ-CPNJWEJPSA-O
XLogP-0.61
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
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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Related Compounds

5-[C-ethyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 6955786
5-[C-ethyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7365883
5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7365884
(5R)-1-cyclohexyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7367302
(5R)-1-cyclohexyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7367303
(5S)-1-hexyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7367888
(5S)-1-hexyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7367889
(5R)-1-cyclohexyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7368101
1,3-dimethyl-5-[C-methyl-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461447
1-cyclohexyl-5-[C-ethyl-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461465
1-cyclohexyl-5-[C-ethyl-N-(3-morpholin-4-ylpropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461466
(5S)-1-butyl-5-[C-methyl-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461484

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione (CID 7461712) is 1-cyclohexyl-5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione is C/C(=N\CC[NH+]1CCOCC1)C1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is ZVBVXXWVIKKWCJ-CPNJWEJPSA-O. The full InChI is InChI=1S/C18H28N4O4/c1-13(19-7-8-21-9-11-26-12-10-21)15-16(23)20-18(25)22(17(15)24)14-5-3-2-4-6-14/h14-15H,2-12H2,1H3,(H,20,23,25)/p+1/b19-13+.
What are the key properties of 1-cyclohexyl-5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 365.45 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[C-methyl-N-(2-morpholin-4-ium-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7461712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).