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

C16H27N4O3+ — CID 7368115

IUPAC3-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium
SMILESC[NH+](C)CCC/N=C/C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C16H26N4O3/c1-19(2)10-6-9-17-11-13-14(21)18-16(23)20(15(13)22)12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3,(H,18,21,23)/p+1/b17-11+
InChIKeyAVPOLWYFWNUIFK-GZTJUZNOSA-O
MW323.42 g/mol
LogP-0.38
Rot. Bonds6

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

3-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium (PubChem CID 7368115) has the molecular formula C16H27N4O3+ and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium
PubChem CID7368115
Molecular FormulaC16H27N4O3+
Molecular Weight323.42 g/mol
Exact Mass323.21
IUPAC Name3-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium
SMILESC[NH+](C)CCC/N=C/C1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C16H26N4O3/c1-19(2)10-6-9-17-11-13-14(21)18-16(23)20(15(13)22)12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3,(H,18,21,23)/p+1/b17-11+
InChIKeyAVPOLWYFWNUIFK-GZTJUZNOSA-O
XLogP-0.38
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

3-Cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4(3H,5H)-dione
CID 13267
1,3-Dicyclohexyl-5-[(dimethylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione
CID 145922006
(5R)-1-cyclohexyl-5-(cyclopentyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6983669
(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
[(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
1,3-Dicyclohexyl-5-(pentyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7048924
1,3-Dicyclohexyl-5-(propyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7048926

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium?
The IUPAC name of 3-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium (CID 7368115) is 3-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium.
What is the SMILES notation for 3-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium?
The canonical SMILES for 3-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium is C[NH+](C)CCC/N=C/C1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 3-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium?
The InChIKey is AVPOLWYFWNUIFK-GZTJUZNOSA-O. The full InChI is InChI=1S/C16H26N4O3/c1-19(2)10-6-9-17-11-13-14(21)18-16(23)20(15(13)22)12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3,(H,18,21,23)/p+1/b17-11+.
What are the key properties of 3-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium?
3-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium has a molecular weight of 323.42 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl-dimethylazanium is sourced from PubChem (CID 7368115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).