1-(diaminomethylidene)-2-ethylguanidine;dihydrochloride

C4H13Cl2N5 — CID 45053534

IUPAC1-(diaminomethylidene)-2-ethylguanidine;dihydrochloride
SMILESCC/N=C(\N)N=C(N)N.Cl.Cl
InChIInChI=1S/C4H11N5.2ClH/c1-2-8-4(7)9-3(5)6;;/h2H2,1H3,(H6,5,6,7,8,9);2*1H
InChIKeySTOGKDBGVAPPCU-UHFFFAOYSA-N
MW202.09 g/mol
LogP-0.56
Rot. Bonds1

About 1-(diaminomethylidene)-2-ethylguanidine;dihydrochloride

1-(diaminomethylidene)-2-ethylguanidine;dihydrochloride (PubChem CID 45053534) has the molecular formula C4H13Cl2N5 and a molecular weight of 202.09 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-ethylguanidine;dihydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-ethylguanidine;dihydrochloride
PubChem CID45053534
Molecular FormulaC4H13Cl2N5
Molecular Weight202.09 g/mol
Exact Mass201.05
IUPAC Name1-(diaminomethylidene)-2-ethylguanidine;dihydrochloride
SMILESCC/N=C(\N)N=C(N)N.Cl.Cl
InChIInChI=1S/C4H11N5.2ClH/c1-2-8-4(7)9-3(5)6;;/h2H2,1H3,(H6,5,6,7,8,9);2*1H
InChIKeySTOGKDBGVAPPCU-UHFFFAOYSA-N
XLogP-0.56
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 5-0.56
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;dihydrochloride?
The IUPAC name of 1-(diaminomethylidene)-2-ethylguanidine;dihydrochloride (CID 45053534) is 1-(diaminomethylidene)-2-ethylguanidine;dihydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-ethylguanidine;dihydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-2-ethylguanidine;dihydrochloride is CC/N=C(\N)N=C(N)N.Cl.Cl.
What is the InChIKey of 1-(diaminomethylidene)-2-ethylguanidine;dihydrochloride?
The InChIKey is STOGKDBGVAPPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5.2ClH/c1-2-8-4(7)9-3(5)6;;/h2H2,1H3,(H6,5,6,7,8,9);2*1H.
What are the key properties of 1-(diaminomethylidene)-2-ethylguanidine;dihydrochloride?
1-(diaminomethylidene)-2-ethylguanidine;dihydrochloride has a molecular weight of 202.09 g/mol, XLogP of -0.56, 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;dihydrochloride is sourced from PubChem (CID 45053534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).