1-amino-2-ethylguanidine;dihydrochloride

C3H12Cl2N4 — CID 22395295

IUPAC1-amino-2-ethylguanidine;dihydrochloride
SMILESCC/N=C(\N)NN.Cl.Cl
InChIInChI=1S/C3H10N4.2ClH/c1-2-6-3(4)7-5;;/h2,5H2,1H3,(H3,4,6,7);2*1H
InChIKeyLHLZMEFGWVYHAY-UHFFFAOYSA-N
MW175.06 g/mol
LogP-0.37
Rot. Bonds1

About 1-amino-2-ethylguanidine;dihydrochloride

1-amino-2-ethylguanidine;dihydrochloride (PubChem CID 22395295) has the molecular formula C3H12Cl2N4 and a molecular weight of 175.06 g/mol. Its IUPAC name is 1-amino-2-ethylguanidine;dihydrochloride.

Molecular Properties

Compound Name1-amino-2-ethylguanidine;dihydrochloride
PubChem CID22395295
Molecular FormulaC3H12Cl2N4
Molecular Weight175.06 g/mol
Exact Mass174.04
IUPAC Name1-amino-2-ethylguanidine;dihydrochloride
SMILESCC/N=C(\N)NN.Cl.Cl
InChIInChI=1S/C3H10N4.2ClH/c1-2-6-3(4)7-5;;/h2,5H2,1H3,(H3,4,6,7);2*1H
InChIKeyLHLZMEFGWVYHAY-UHFFFAOYSA-N
XLogP-0.37
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.06
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-ethylguanidine;dihydrochloride?
The IUPAC name of 1-amino-2-ethylguanidine;dihydrochloride (CID 22395295) is 1-amino-2-ethylguanidine;dihydrochloride.
What is the SMILES notation for 1-amino-2-ethylguanidine;dihydrochloride?
The canonical SMILES for 1-amino-2-ethylguanidine;dihydrochloride is CC/N=C(\N)NN.Cl.Cl.
What is the InChIKey of 1-amino-2-ethylguanidine;dihydrochloride?
The InChIKey is LHLZMEFGWVYHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4.2ClH/c1-2-6-3(4)7-5;;/h2,5H2,1H3,(H3,4,6,7);2*1H.
What are the key properties of 1-amino-2-ethylguanidine;dihydrochloride?
1-amino-2-ethylguanidine;dihydrochloride has a molecular weight of 175.06 g/mol, XLogP of -0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-ethylguanidine;dihydrochloride is sourced from PubChem (CID 22395295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).