diaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium

C4H11N4O+ — CID 145315281

IUPACdiaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH+]=C(N)N
InChIInChI=1S/C4H10N4O/c1-7-3(9)2-8-4(5)6/h2H2,1H3,(H,7,9)(H4,5,6,8)/p+1
InChIKeyONXZIIDGQJODOD-UHFFFAOYSA-O
MW131.16 g/mol
LogP-3.91
Rot. Bonds2

About diaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium

diaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium (PubChem CID 145315281) has the molecular formula C4H11N4O+ and a molecular weight of 131.16 g/mol. Its IUPAC name is diaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namediaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium
PubChem CID145315281
Molecular FormulaC4H11N4O+
Molecular Weight131.16 g/mol
Exact Mass131.09
IUPAC Namediaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH+]=C(N)N
InChIInChI=1S/C4H10N4O/c1-7-3(9)2-8-4(5)6/h2H2,1H3,(H,7,9)(H4,5,6,8)/p+1
InChIKeyONXZIIDGQJODOD-UHFFFAOYSA-O
XLogP-3.91
TPSA95.11 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 5-3.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium?
The IUPAC name of diaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium (CID 145315281) is diaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium.
What is the SMILES notation for diaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium?
The canonical SMILES for diaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium is CNC(=O)C[NH+]=C(N)N.
What is the InChIKey of diaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium?
The InChIKey is ONXZIIDGQJODOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N4O/c1-7-3(9)2-8-4(5)6/h2H2,1H3,(H,7,9)(H4,5,6,8)/p+1.
What are the key properties of diaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium?
diaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium has a molecular weight of 131.16 g/mol, XLogP of -3.91, 2 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 145315281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).