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

C16H28N4O3 — CID 7367051

IUPAC(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-hexyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCCN1C(=O)NC(=O)[C@@H](/C=N/CCCN(C)C)C1=O
InChIInChI=1S/C16H28N4O3/c1-4-5-6-7-11-20-15(22)13(14(21)18-16(20)23)12-17-9-8-10-19(2)3/h12-13H,4-11H2,1-3H3,(H,18,21,23)/b17-12+/t13-/m1/s1
InChIKeyVYMBVCQHRYUPTF-LVLBFHFTSA-N
MW324.43 g/mol
LogP1.28
Rot. Bonds10

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

(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-hexyl-1,3-diazinane-2,4,6-trione (PubChem CID 7367051) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-hexyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-hexyl-1,3-diazinane-2,4,6-trione
PubChem CID7367051
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-hexyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCCN1C(=O)NC(=O)[C@@H](/C=N/CCCN(C)C)C1=O
InChIInChI=1S/C16H28N4O3/c1-4-5-6-7-11-20-15(22)13(14(21)18-16(20)23)12-17-9-8-10-19(2)3/h12-13H,4-11H2,1-3H3,(H,18,21,23)/b17-12+/t13-/m1/s1
InChIKeyVYMBVCQHRYUPTF-LVLBFHFTSA-N
XLogP1.28
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.28
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'}

Analyze (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-hexyl-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

1-Hexyl-5-methyl-1,3-diazinane-2,4,6-trione
CID 174906058
(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
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
5-(Hexyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7029530
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
5-(Hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7029622
5-(4-Methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7029623
[(4R)-4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]pentyl]-diethylazanium
CID 7048851

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-hexyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-hexyl-1,3-diazinane-2,4,6-trione (CID 7367051) is (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-hexyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-hexyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-hexyl-1,3-diazinane-2,4,6-trione is CCCCCCN1C(=O)NC(=O)[C@@H](/C=N/CCCN(C)C)C1=O.
What is the InChIKey of (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-hexyl-1,3-diazinane-2,4,6-trione?
The InChIKey is VYMBVCQHRYUPTF-LVLBFHFTSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-4-5-6-7-11-20-15(22)13(14(21)18-16(20)23)12-17-9-8-10-19(2)3/h12-13H,4-11H2,1-3H3,(H,18,21,23)/b17-12+/t13-/m1/s1.
What are the key properties of (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-hexyl-1,3-diazinane-2,4,6-trione?
(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-hexyl-1,3-diazinane-2,4,6-trione has a molecular weight of 324.43 g/mol, XLogP of 1.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-hexyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7367051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).