2-ethylguanidine;hydrochloride

C3H10ClN3 — CID 11297964

IUPAC2-ethylguanidine;hydrochloride
SMILESCCN=C(N)N.Cl
InChIInChI=1S/C3H9N3.ClH/c1-2-6-3(4)5;/h2H2,1H3,(H4,4,5,6);1H
InChIKeyGVSGVBVZXJOLDD-UHFFFAOYSA-N
MW123.59 g/mol
LogP-0.30
Rot. Bonds1

About 2-ethylguanidine;hydrochloride

2-ethylguanidine;hydrochloride (PubChem CID 11297964) has the molecular formula C3H10ClN3 and a molecular weight of 123.59 g/mol. Its IUPAC name is 2-ethylguanidine;hydrochloride.

Molecular Properties

Compound Name2-ethylguanidine;hydrochloride
PubChem CID11297964
Molecular FormulaC3H10ClN3
Molecular Weight123.59 g/mol
Exact Mass123.06
IUPAC Name2-ethylguanidine;hydrochloride
SMILESCCN=C(N)N.Cl
InChIInChI=1S/C3H9N3.ClH/c1-2-6-3(4)5;/h2H2,1H3,(H4,4,5,6);1H
InChIKeyGVSGVBVZXJOLDD-UHFFFAOYSA-N
XLogP-0.30
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.59
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
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 2-ethylguanidine;hydrochloride?
The IUPAC name of 2-ethylguanidine;hydrochloride (CID 11297964) is 2-ethylguanidine;hydrochloride.
What is the SMILES notation for 2-ethylguanidine;hydrochloride?
The canonical SMILES for 2-ethylguanidine;hydrochloride is CCN=C(N)N.Cl.
What is the InChIKey of 2-ethylguanidine;hydrochloride?
The InChIKey is GVSGVBVZXJOLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3.ClH/c1-2-6-3(4)5;/h2H2,1H3,(H4,4,5,6);1H.
What are the key properties of 2-ethylguanidine;hydrochloride?
2-ethylguanidine;hydrochloride has a molecular weight of 123.59 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylguanidine;hydrochloride is sourced from PubChem (CID 11297964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).