diaminomethylidene(ethoxycarbonyl)azanium

C4H10N3O2+ — CID 90723726

IUPACdiaminomethylidene(ethoxycarbonyl)azanium
SMILESCCOC(=O)[NH+]=C(N)N
InChIInChI=1S/C4H9N3O2/c1-2-9-4(8)7-3(5)6/h2H2,1H3,(H4,5,6,7,8)/p+1
InChIKeyRAMWAPBGTMMDSI-UHFFFAOYSA-O
MW132.14 g/mol
LogP-2.50
Rot. Bonds1

About diaminomethylidene(ethoxycarbonyl)azanium

diaminomethylidene(ethoxycarbonyl)azanium (PubChem CID 90723726) has the molecular formula C4H10N3O2+ and a molecular weight of 132.14 g/mol. Its IUPAC name is diaminomethylidene(ethoxycarbonyl)azanium.

Molecular Properties

Compound Namediaminomethylidene(ethoxycarbonyl)azanium
PubChem CID90723726
Molecular FormulaC4H10N3O2+
Molecular Weight132.14 g/mol
Exact Mass132.08
IUPAC Namediaminomethylidene(ethoxycarbonyl)azanium
SMILESCCOC(=O)[NH+]=C(N)N
InChIInChI=1S/C4H9N3O2/c1-2-9-4(8)7-3(5)6/h2H2,1H3,(H4,5,6,7,8)/p+1
InChIKeyRAMWAPBGTMMDSI-UHFFFAOYSA-O
XLogP-2.50
TPSA92.31 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-2.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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(ethoxycarbonyl)azanium?
The IUPAC name of diaminomethylidene(ethoxycarbonyl)azanium (CID 90723726) is diaminomethylidene(ethoxycarbonyl)azanium.
What is the SMILES notation for diaminomethylidene(ethoxycarbonyl)azanium?
The canonical SMILES for diaminomethylidene(ethoxycarbonyl)azanium is CCOC(=O)[NH+]=C(N)N.
What is the InChIKey of diaminomethylidene(ethoxycarbonyl)azanium?
The InChIKey is RAMWAPBGTMMDSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N3O2/c1-2-9-4(8)7-3(5)6/h2H2,1H3,(H4,5,6,7,8)/p+1.
What are the key properties of diaminomethylidene(ethoxycarbonyl)azanium?
diaminomethylidene(ethoxycarbonyl)azanium has a molecular weight of 132.14 g/mol, XLogP of -2.50, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene(ethoxycarbonyl)azanium is sourced from PubChem (CID 90723726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).