N-amino-2-ethyl-N'-methyl-3,5-dioxopiperazine-1-carboximidamide

C8H15N5O2 — CID 104882319

IUPACN-amino-2-ethyl-N'-methyl-3,5-dioxopiperazine-1-carboximidamide
SMILESCCC1C(=O)NC(=O)CN1/C(=N/C)NN
InChIInChI=1S/C8H15N5O2/c1-3-5-7(15)11-6(14)4-13(5)8(10-2)12-9/h5H,3-4,9H2,1-2H3,(H,10,12)(H,11,14,15)
InChIKeyCWQHDMUNRXBXTJ-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.83
Rot. Bonds1

About N-amino-2-ethyl-N'-methyl-3,5-dioxopiperazine-1-carboximidamide

N-amino-2-ethyl-N'-methyl-3,5-dioxopiperazine-1-carboximidamide (PubChem CID 104882319) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-amino-2-ethyl-N'-methyl-3,5-dioxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-2-ethyl-N'-methyl-3,5-dioxopiperazine-1-carboximidamide
PubChem CID104882319
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC NameN-amino-2-ethyl-N'-methyl-3,5-dioxopiperazine-1-carboximidamide
SMILESCCC1C(=O)NC(=O)CN1/C(=N/C)NN
InChIInChI=1S/C8H15N5O2/c1-3-5-7(15)11-6(14)4-13(5)8(10-2)12-9/h5H,3-4,9H2,1-2H3,(H,10,12)(H,11,14,15)
InChIKeyCWQHDMUNRXBXTJ-UHFFFAOYSA-N
XLogP-1.83
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-2-ethyl-N'-methyl-3,5-dioxopiperazine-1-carboximidamide?
The IUPAC name of N-amino-2-ethyl-N'-methyl-3,5-dioxopiperazine-1-carboximidamide (CID 104882319) is N-amino-2-ethyl-N'-methyl-3,5-dioxopiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-2-ethyl-N'-methyl-3,5-dioxopiperazine-1-carboximidamide?
The canonical SMILES for N-amino-2-ethyl-N'-methyl-3,5-dioxopiperazine-1-carboximidamide is CCC1C(=O)NC(=O)CN1/C(=N/C)NN.
What is the InChIKey of N-amino-2-ethyl-N'-methyl-3,5-dioxopiperazine-1-carboximidamide?
The InChIKey is CWQHDMUNRXBXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-3-5-7(15)11-6(14)4-13(5)8(10-2)12-9/h5H,3-4,9H2,1-2H3,(H,10,12)(H,11,14,15).
What are the key properties of N-amino-2-ethyl-N'-methyl-3,5-dioxopiperazine-1-carboximidamide?
N-amino-2-ethyl-N'-methyl-3,5-dioxopiperazine-1-carboximidamide has a molecular weight of 213.24 g/mol, XLogP of -1.83, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-ethyl-N'-methyl-3,5-dioxopiperazine-1-carboximidamide is sourced from PubChem (CID 104882319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).