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

C13H21N3O3 — CID 7029622

IUPAC5-(hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C13H21N3O3/c1-4-5-6-7-8-14-9-10-11(17)15(2)13(19)16(3)12(10)18/h9-10H,4-8H2,1-3H3/b14-9+
InChIKeyULDVGTROCZCBIV-NTEUORMPSA-N
MW267.33 g/mol
LogP1.30
Rot. Bonds6

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

5-(hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 7029622) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID7029622
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-(hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C13H21N3O3/c1-4-5-6-7-8-14-9-10-11(17)15(2)13(19)16(3)12(10)18/h9-10H,4-8H2,1-3H3/b14-9+
InChIKeyULDVGTROCZCBIV-NTEUORMPSA-N
XLogP1.30
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.30
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'}

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Related Compounds

1,3-dimethyl-5-[(E)-5H-tetrazol-5-yliminomethyl]-1,3-diazinane-2,4,6-trione
CID 76328269
1,3-dimethyl-5-(5H-tetrazol-5-yliminomethyl)-1,3-diazinane-2,4,6-trione
CID 172024333
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
1,3-Dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7029525
5-(Hexyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7029530
5-[[(2R)-butan-2-yl]iminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7029533
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
1,3-Dicyclohexyl-5-(2-methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7048927
5-(2-Bromoethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7223693

Frequently Asked Questions

What is the IUPAC name of 5-(hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 7029622) is 5-(hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CCCCCC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-(hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ULDVGTROCZCBIV-NTEUORMPSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-5-6-7-8-14-9-10-11(17)15(2)13(19)16(3)12(10)18/h9-10H,4-8H2,1-3H3/b14-9+.
What are the key properties of 5-(hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-(hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 267.33 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7029622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).