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

C15H24N4O3 — CID 7367976

IUPAC1-cyclohexyl-5-[2-(dimethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
SMILESCN(C)CC/N=C/C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C15H24N4O3/c1-18(2)9-8-16-10-12-13(20)17-15(22)19(14(12)21)11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,17,20,22)/b16-10+
InChIKeyPPUCTTUHHZNEBW-MHWRWJLKSA-N
MW308.38 g/mol
LogP0.65
Rot. Bonds5

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

1-cyclohexyl-5-[2-(dimethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7367976) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-cyclohexyl-5-[2-(dimethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-[2-(dimethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
PubChem CID7367976
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-cyclohexyl-5-[2-(dimethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
SMILESCN(C)CC/N=C/C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C15H24N4O3/c1-18(2)9-8-16-10-12-13(20)17-15(22)19(14(12)21)11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,17,20,22)/b16-10+
InChIKeyPPUCTTUHHZNEBW-MHWRWJLKSA-N
XLogP0.65
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.65
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'}

Analyze 1-cyclohexyl-5-[2-(dimethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4(3H,5H)-dione
CID 13267
(5R)-1-butyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 6996805
(5R)-1-butyl-5-(2-piperazin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 6996806
(5S)-1-cycloheptyl-5-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7011072
1-Cyclohexyl-5-(2-methylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7012094
2-[[(5R)-1-butyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneazaniumyl]ethyl-diethylazanium
CID 7023460
(5R)-1-butyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7023461
Diethyl-[2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl]azanium
CID 7029606
5-[2-(Diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7029607
2-[(1-Cyclohexyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]ethyl-diethylazanium
CID 7048892
1-Cyclohexyl-5-[2-(diethylamino)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7048893
1,3-Dicyclohexyl-5-(propyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7048926

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[2-(dimethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-[2-(dimethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione (CID 7367976) is 1-cyclohexyl-5-[2-(dimethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-[2-(dimethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-[2-(dimethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione is CN(C)CC/N=C/C1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-[2-(dimethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is PPUCTTUHHZNEBW-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-18(2)9-8-16-10-12-13(20)17-15(22)19(14(12)21)11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,17,20,22)/b16-10+.
What are the key properties of 1-cyclohexyl-5-[2-(dimethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-[2-(dimethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 308.38 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[2-(dimethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7367976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).