2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium

C15H25N4O3+ — CID 7367975

IUPAC2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium
SMILESC[NH+](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)/p+1/b16-10+
InChIKeyPPUCTTUHHZNEBW-MHWRWJLKSA-O
MW309.39 g/mol
LogP-0.77
Rot. Bonds5

About 2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium

2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium (PubChem CID 7367975) has the molecular formula C15H25N4O3+ and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium
PubChem CID7367975
Molecular FormulaC15H25N4O3+
Molecular Weight309.39 g/mol
Exact Mass309.19
IUPAC Name2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium
SMILESC[NH+](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)/p+1/b16-10+
InChIKeyPPUCTTUHHZNEBW-MHWRWJLKSA-O
XLogP-0.77
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium with MolForge

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Launch Full Analysis

Related Compounds

(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
1,3-Dimethyl-5-[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7000999
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
[(4R)-4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]pentyl]-diethylazanium
CID 7048851
[(4S)-4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]pentyl]-diethylazanium
CID 7048853
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

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium?
The IUPAC name of 2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium (CID 7367975) is 2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium?
The canonical SMILES for 2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium is C[NH+](C)CC/N=C/C1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium?
The InChIKey is PPUCTTUHHZNEBW-MHWRWJLKSA-O. 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)/p+1/b16-10+.
What are the key properties of 2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium?
2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium has a molecular weight of 309.39 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl-dimethylazanium is sourced from PubChem (CID 7367975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).