dimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium

C11H19N4O3+ — CID 7367052

IUPACdimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium
SMILESCN1C(=O)NC(=O)[C@@H](/C=N/CCC[NH+](C)C)C1=O
InChIInChI=1S/C11H18N4O3/c1-14(2)6-4-5-12-7-8-9(16)13-11(18)15(3)10(8)17/h7-8H,4-6H2,1-3H3,(H,13,16,18)/p+1/b12-7+/t8-/m1/s1
InChIKeyVSZGBHBPNAYGMH-LQGZHCLWSA-O
MW255.30 g/mol
LogP-2.08
Rot. Bonds5

About dimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium

dimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium (PubChem CID 7367052) has the molecular formula C11H19N4O3+ and a molecular weight of 255.30 g/mol. Its IUPAC name is dimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium
PubChem CID7367052
Molecular FormulaC11H19N4O3+
Molecular Weight255.30 g/mol
Exact Mass255.15
IUPAC Namedimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium
SMILESCN1C(=O)NC(=O)[C@@H](/C=N/CCC[NH+](C)C)C1=O
InChIInChI=1S/C11H18N4O3/c1-14(2)6-4-5-12-7-8-9(16)13-11(18)15(3)10(8)17/h7-8H,4-6H2,1-3H3,(H,13,16,18)/p+1/b12-7+/t8-/m1/s1
InChIKeyVSZGBHBPNAYGMH-LQGZHCLWSA-O
XLogP-2.08
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
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 dimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium?
The IUPAC name of dimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium (CID 7367052) is dimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium.
What is the SMILES notation for dimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium?
The canonical SMILES for dimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium is CN1C(=O)NC(=O)[C@@H](/C=N/CCC[NH+](C)C)C1=O.
What is the InChIKey of dimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium?
The InChIKey is VSZGBHBPNAYGMH-LQGZHCLWSA-O. The full InChI is InChI=1S/C11H18N4O3/c1-14(2)6-4-5-12-7-8-9(16)13-11(18)15(3)10(8)17/h7-8H,4-6H2,1-3H3,(H,13,16,18)/p+1/b12-7+/t8-/m1/s1.
What are the key properties of dimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium?
dimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium has a molecular weight of 255.30 g/mol, XLogP of -2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl]azanium is sourced from PubChem (CID 7367052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).