1-carbamimidoyl-2-ethylguanidine;hydrochloride

C4H12ClN5 — CID 176518154

IUPAC1-carbamimidoyl-2-ethylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/CC
InChIInChI=1S/C4H11N5.ClH/c1-2-8-4(7)9-3(5)6;/h2H2,1H3,(H6,5,6,7,8,9);1H
InChIKeyBMKJPIBZJKDTGC-UHFFFAOYSA-N
MW165.63 g/mol
LogP-0.77
Rot. Bonds1

About 1-carbamimidoyl-2-ethylguanidine;hydrochloride

1-carbamimidoyl-2-ethylguanidine;hydrochloride (PubChem CID 176518154) has the molecular formula C4H12ClN5 and a molecular weight of 165.63 g/mol. Its IUPAC name is 1-carbamimidoyl-2-ethylguanidine;hydrochloride.

Molecular Properties

Compound Name1-carbamimidoyl-2-ethylguanidine;hydrochloride
PubChem CID176518154
Molecular FormulaC4H12ClN5
Molecular Weight165.63 g/mol
Exact Mass165.08
IUPAC Name1-carbamimidoyl-2-ethylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/CC
InChIInChI=1S/C4H11N5.ClH/c1-2-8-4(7)9-3(5)6;/h2H2,1H3,(H6,5,6,7,8,9);1H
InChIKeyBMKJPIBZJKDTGC-UHFFFAOYSA-N
XLogP-0.77
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.63
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
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 1-carbamimidoyl-2-ethylguanidine;hydrochloride?
The IUPAC name of 1-carbamimidoyl-2-ethylguanidine;hydrochloride (CID 176518154) is 1-carbamimidoyl-2-ethylguanidine;hydrochloride.
What is the SMILES notation for 1-carbamimidoyl-2-ethylguanidine;hydrochloride?
The canonical SMILES for 1-carbamimidoyl-2-ethylguanidine;hydrochloride is Cl.[H]/N=C(\N)N/C(N)=N/CC.
What is the InChIKey of 1-carbamimidoyl-2-ethylguanidine;hydrochloride?
The InChIKey is BMKJPIBZJKDTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5.ClH/c1-2-8-4(7)9-3(5)6;/h2H2,1H3,(H6,5,6,7,8,9);1H.
What are the key properties of 1-carbamimidoyl-2-ethylguanidine;hydrochloride?
1-carbamimidoyl-2-ethylguanidine;hydrochloride has a molecular weight of 165.63 g/mol, XLogP of -0.77, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-ethylguanidine;hydrochloride is sourced from PubChem (CID 176518154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).