2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine;hydrochloride

C6H16ClN5 — CID 86583221

IUPAC2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine;hydrochloride
SMILESCC/N=C(\N)N/C(N)=N/CC.Cl
InChIInChI=1S/C6H15N5.ClH/c1-3-9-5(7)11-6(8)10-4-2;/h3-4H2,1-2H3,(H5,7,8,9,10,11);1H
InChIKeyJTWBDHWFKFKNAY-UHFFFAOYSA-N
MW193.68 g/mol
LogP-0.33
Rot. Bonds2

About 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine;hydrochloride

2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine;hydrochloride (PubChem CID 86583221) has the molecular formula C6H16ClN5 and a molecular weight of 193.68 g/mol. Its IUPAC name is 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine;hydrochloride
PubChem CID86583221
Molecular FormulaC6H16ClN5
Molecular Weight193.68 g/mol
Exact Mass193.11
IUPAC Name2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine;hydrochloride
SMILESCC/N=C(\N)N/C(N)=N/CC.Cl
InChIInChI=1S/C6H15N5.ClH/c1-3-9-5(7)11-6(8)10-4-2;/h3-4H2,1-2H3,(H5,7,8,9,10,11);1H
InChIKeyJTWBDHWFKFKNAY-UHFFFAOYSA-N
XLogP-0.33
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-ethyl-1-(N'-ethylcarbamimidoyl)guanidine;hydrochloride?
The IUPAC name of 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine;hydrochloride (CID 86583221) is 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine;hydrochloride.
What is the SMILES notation for 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine;hydrochloride?
The canonical SMILES for 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine;hydrochloride is CC/N=C(\N)N/C(N)=N/CC.Cl.
What is the InChIKey of 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine;hydrochloride?
The InChIKey is JTWBDHWFKFKNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5.ClH/c1-3-9-5(7)11-6(8)10-4-2;/h3-4H2,1-2H3,(H5,7,8,9,10,11);1H.
What are the key properties of 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine;hydrochloride?
2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine;hydrochloride has a molecular weight of 193.68 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(N'-ethylcarbamimidoyl)guanidine;hydrochloride is sourced from PubChem (CID 86583221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).