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

C10H17N4O3+ — CID 7367492

IUPACdimethyl-[2-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium
SMILESCN1C(=O)NC(=O)[C@@H](/C=N/CC[NH+](C)C)C1=O
InChIInChI=1S/C10H16N4O3/c1-13(2)5-4-11-6-7-8(15)12-10(17)14(3)9(7)16/h6-7H,4-5H2,1-3H3,(H,12,15,17)/p+1/b11-6+/t7-/m1/s1
InChIKeyNGEULWBKDXHEHQ-PKTIUJEHSA-O
MW241.27 g/mol
LogP-2.47
Rot. Bonds4

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

dimethyl-[2-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium (PubChem CID 7367492) has the molecular formula C10H17N4O3+ and a molecular weight of 241.27 g/mol. Its IUPAC name is dimethyl-[2-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium
PubChem CID7367492
Molecular FormulaC10H17N4O3+
Molecular Weight241.27 g/mol
Exact Mass241.13
IUPAC Namedimethyl-[2-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium
SMILESCN1C(=O)NC(=O)[C@@H](/C=N/CC[NH+](C)C)C1=O
InChIInChI=1S/C10H16N4O3/c1-13(2)5-4-11-6-7-8(15)12-10(17)14(3)9(7)16/h6-7H,4-5H2,1-3H3,(H,12,15,17)/p+1/b11-6+/t7-/m1/s1
InChIKeyNGEULWBKDXHEHQ-PKTIUJEHSA-O
XLogP-2.47
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 5-2.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium?
The IUPAC name of dimethyl-[2-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium (CID 7367492) is dimethyl-[2-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium is CN1C(=O)NC(=O)[C@@H](/C=N/CC[NH+](C)C)C1=O.
What is the InChIKey of dimethyl-[2-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium?
The InChIKey is NGEULWBKDXHEHQ-PKTIUJEHSA-O. The full InChI is InChI=1S/C10H16N4O3/c1-13(2)5-4-11-6-7-8(15)12-10(17)14(3)9(7)16/h6-7H,4-5H2,1-3H3,(H,12,15,17)/p+1/b11-6+/t7-/m1/s1.
What are the key properties of dimethyl-[2-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium?
dimethyl-[2-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium has a molecular weight of 241.27 g/mol, XLogP of -2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[[(5R)-1-methyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium is sourced from PubChem (CID 7367492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).