1,3-dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione

C13H21N3O3 — CID 7029525

IUPAC1,3-dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)CCC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C13H21N3O3/c1-9(2)6-5-7-14-8-10-11(17)15(3)13(19)16(4)12(10)18/h8-10H,5-7H2,1-4H3/b14-8+
InChIKeyMTNZGDHZYFQRKX-RIYZIHGNSA-N
MW267.33 g/mol
LogP1.16
Rot. Bonds5

About 1,3-dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7029525) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7029525
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1,3-dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCC(C)CCC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C13H21N3O3/c1-9(2)6-5-7-14-8-10-11(17)15(3)13(19)16(4)12(10)18/h8-10H,5-7H2,1-4H3/b14-8+
InChIKeyMTNZGDHZYFQRKX-RIYZIHGNSA-N
XLogP1.16
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.16
H-Bond Donors ≤ 50
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 1,3-dimethyl-5-(4-methylpentyliminomethyl)-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

5-(Cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7302964
5-[[(2S)-butan-2-yl]iminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6944504
5-(Butyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7029494
5-[[(2R)-butan-2-yl]iminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7029533
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
1,3-Dimethyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7336034
5-[2-(Diethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7367958
5-[2-(Dimethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7367994
5-[3-(Dimethylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7368085
5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7369451
5-(Ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7410880

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7029525) is 1,3-dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione is CC(C)CCC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is MTNZGDHZYFQRKX-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)6-5-7-14-8-10-11(17)15(3)13(19)16(4)12(10)18/h8-10H,5-7H2,1-4H3/b14-8+.
What are the key properties of 1,3-dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 267.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7029525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).