1-(diaminomethylidene)-2-ethylguanidine

C4H11N5 — CID 16446

IUPAC1-(diaminomethylidene)-2-ethylguanidine
SMILESCC/N=C(\N)N=C(N)N
InChIInChI=1S/C4H11N5/c1-2-8-4(7)9-3(5)6/h2H2,1H3,(H6,5,6,7,8,9)
InChIKeyXWFPIJRFFLYWRN-UHFFFAOYSA-N
MW129.17 g/mol
LogP-1.41
Rot. Bonds1

About 1-(diaminomethylidene)-2-ethylguanidine

1-(diaminomethylidene)-2-ethylguanidine (PubChem CID 16446) has the molecular formula C4H11N5 and a molecular weight of 129.17 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-ethylguanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-ethylguanidine
PubChem CID16446
Molecular FormulaC4H11N5
Molecular Weight129.17 g/mol
Exact Mass129.10
IUPAC Name1-(diaminomethylidene)-2-ethylguanidine
SMILESCC/N=C(\N)N=C(N)N
InChIInChI=1S/C4H11N5/c1-2-8-4(7)9-3(5)6/h2H2,1H3,(H6,5,6,7,8,9)
InChIKeyXWFPIJRFFLYWRN-UHFFFAOYSA-N
XLogP-1.41
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.17
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
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 1-(diaminomethylidene)-2-ethylguanidine?
The IUPAC name of 1-(diaminomethylidene)-2-ethylguanidine (CID 16446) is 1-(diaminomethylidene)-2-ethylguanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-ethylguanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-ethylguanidine is CC/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-ethylguanidine?
The InChIKey is XWFPIJRFFLYWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5/c1-2-8-4(7)9-3(5)6/h2H2,1H3,(H6,5,6,7,8,9).
What are the key properties of 1-(diaminomethylidene)-2-ethylguanidine?
1-(diaminomethylidene)-2-ethylguanidine has a molecular weight of 129.17 g/mol, XLogP of -1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-ethylguanidine is sourced from PubChem (CID 16446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).