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

C12H20N4O3 — CID 7368085

IUPAC5-[3-(dimethylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN(C)CCC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C12H20N4O3/c1-14(2)7-5-6-13-8-9-10(17)15(3)12(19)16(4)11(9)18/h8-9H,5-7H2,1-4H3/b13-8+
InChIKeyKISGAVIAUIBDJZ-MDWZMJQESA-N
MW268.32 g/mol
LogP-0.32
Rot. Bonds5

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

5-[3-(dimethylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 7368085) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID7368085
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name5-[3-(dimethylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN(C)CCC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C12H20N4O3/c1-14(2)7-5-6-13-8-9-10(17)15(3)12(19)16(4)11(9)18/h8-9H,5-7H2,1-4H3/b13-8+
InChIKeyKISGAVIAUIBDJZ-MDWZMJQESA-N
XLogP-0.32
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
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

5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 73334133
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
1,3-Dimethyl-5-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7001000
5-(Cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7302964
7,15-Dimethyl-1,5,13-triaza-9-azoniatricyclo[11.3.1.15,9]octadec-8-ene-6,16,17,18-tetrone
CID 123309118
7,15-Dimethyl-1,5-diaza-9,13-diazoniatricyclo[11.3.1.15,9]octadeca-8,13-diene-6,16,17,18-tetrone
CID 123442098
5-Methanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 173575720
1,3-Dimethyl-2,4,6-trioxohexahydro-5-pyrimidinecarbaldehyde oxime
CID 1487860
5-[(Z)-hydroxyiminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 5525035
5-[[(2S)-butan-2-yl]iminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6944504
2-[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]acetate
CID 6991364

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[3-(dimethylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 7368085) is 5-[3-(dimethylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[3-(dimethylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[3-(dimethylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN(C)CCC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-[3-(dimethylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is KISGAVIAUIBDJZ-MDWZMJQESA-N. The full InChI is InChI=1S/C12H20N4O3/c1-14(2)7-5-6-13-8-9-10(17)15(3)12(19)16(4)11(9)18/h8-9H,5-7H2,1-4H3/b13-8+.
What are the key properties of 5-[3-(dimethylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[3-(dimethylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 268.32 g/mol, XLogP of -0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7368085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).