diaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium

C6H14N3O2+ — CID 51698389

IUPACdiaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium
SMILESCCOC(=O)C[N+](C)=C(N)N
InChIInChI=1S/C6H13N3O2/c1-3-11-5(10)4-9(2)6(7)8/h3-4H2,1-2H3,(H3,7,8)/p+1
InChIKeyUFUWQSYRGLMLKP-UHFFFAOYSA-O
MW160.20 g/mol
LogP-1.53
Rot. Bonds3

About diaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium

diaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium (PubChem CID 51698389) has the molecular formula C6H14N3O2+ and a molecular weight of 160.20 g/mol. Its IUPAC name is diaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium.

Molecular Properties

Compound Namediaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium
PubChem CID51698389
Molecular FormulaC6H14N3O2+
Molecular Weight160.20 g/mol
Exact Mass160.11
IUPAC Namediaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium
SMILESCCOC(=O)C[N+](C)=C(N)N
InChIInChI=1S/C6H13N3O2/c1-3-11-5(10)4-9(2)6(7)8/h3-4H2,1-2H3,(H3,7,8)/p+1
InChIKeyUFUWQSYRGLMLKP-UHFFFAOYSA-O
XLogP-1.53
TPSA81.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium?
The IUPAC name of diaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium (CID 51698389) is diaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium.
What is the SMILES notation for diaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium?
The canonical SMILES for diaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium is CCOC(=O)C[N+](C)=C(N)N.
What is the InChIKey of diaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium?
The InChIKey is UFUWQSYRGLMLKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N3O2/c1-3-11-5(10)4-9(2)6(7)8/h3-4H2,1-2H3,(H3,7,8)/p+1.
What are the key properties of diaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium?
diaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium has a molecular weight of 160.20 g/mol, XLogP of -1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-(2-ethoxy-2-oxoethyl)-methylazanium is sourced from PubChem (CID 51698389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).