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

C16H26N4O3 — CID 7368116

IUPAC1-cyclohexyl-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione
SMILESCN(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)/b17-11+
InChIKeyAVPOLWYFWNUIFK-GZTJUZNOSA-N
MW322.41 g/mol
LogP1.04
Rot. Bonds6

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

1-cyclohexyl-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7368116) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-cyclohexyl-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclohexyl-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione
PubChem CID7368116
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-cyclohexyl-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione
SMILESCN(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)/b17-11+
InChIKeyAVPOLWYFWNUIFK-GZTJUZNOSA-N
XLogP1.04
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

3-Cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4(3H,5H)-dione
CID 13267
1-Cyclohexyl-5-methyl-1,3-diazinane-2,4-dione
CID 240107
1,3-Dicyclohexyl-5-[(dimethylhydrazinylidene)methyl]-1,3-diazinane-2,4,6-trione
CID 145922006
1,3-Dicyclohexyl-5-(cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 6983380
(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
(5R)-1-butyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7023461
5-(Hexyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7029530
[(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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclohexyl-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione (CID 7368116) is 1-cyclohexyl-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclohexyl-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclohexyl-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione is CN(C)CCC/N=C/C1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is AVPOLWYFWNUIFK-GZTJUZNOSA-N. 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)/b17-11+.
What are the key properties of 1-cyclohexyl-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione?
1-cyclohexyl-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 322.41 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7368116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).