1-carbamimidoyl-2-(1-cyclopentylethyl)guanidine;hydrochloride

C9H20ClN5 — CID 176524233

IUPAC1-carbamimidoyl-2-(1-cyclopentylethyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/C(C)C1CCCC1
InChIInChI=1S/C9H19N5.ClH/c1-6(7-4-2-3-5-7)13-9(12)14-8(10)11;/h6-7H,2-5H2,1H3,(H6,10,11,12,13,14);1H
InChIKeyOSCMJELBWBGIAA-UHFFFAOYSA-N
MW233.75 g/mol
LogP0.78
Rot. Bonds2

About 1-carbamimidoyl-2-(1-cyclopentylethyl)guanidine;hydrochloride

1-carbamimidoyl-2-(1-cyclopentylethyl)guanidine;hydrochloride (PubChem CID 176524233) has the molecular formula C9H20ClN5 and a molecular weight of 233.75 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(1-cyclopentylethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-carbamimidoyl-2-(1-cyclopentylethyl)guanidine;hydrochloride
PubChem CID176524233
Molecular FormulaC9H20ClN5
Molecular Weight233.75 g/mol
Exact Mass233.14
IUPAC Name1-carbamimidoyl-2-(1-cyclopentylethyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/C(C)C1CCCC1
InChIInChI=1S/C9H19N5.ClH/c1-6(7-4-2-3-5-7)13-9(12)14-8(10)11;/h6-7H,2-5H2,1H3,(H6,10,11,12,13,14);1H
InChIKeyOSCMJELBWBGIAA-UHFFFAOYSA-N
XLogP0.78
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.75
LogP ≤ 50.78
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-(1-cyclopentylethyl)guanidine;hydrochloride?
The IUPAC name of 1-carbamimidoyl-2-(1-cyclopentylethyl)guanidine;hydrochloride (CID 176524233) is 1-carbamimidoyl-2-(1-cyclopentylethyl)guanidine;hydrochloride.
What is the SMILES notation for 1-carbamimidoyl-2-(1-cyclopentylethyl)guanidine;hydrochloride?
The canonical SMILES for 1-carbamimidoyl-2-(1-cyclopentylethyl)guanidine;hydrochloride is Cl.[H]/N=C(\N)N/C(N)=N/C(C)C1CCCC1.
What is the InChIKey of 1-carbamimidoyl-2-(1-cyclopentylethyl)guanidine;hydrochloride?
The InChIKey is OSCMJELBWBGIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5.ClH/c1-6(7-4-2-3-5-7)13-9(12)14-8(10)11;/h6-7H,2-5H2,1H3,(H6,10,11,12,13,14);1H.
What are the key properties of 1-carbamimidoyl-2-(1-cyclopentylethyl)guanidine;hydrochloride?
1-carbamimidoyl-2-(1-cyclopentylethyl)guanidine;hydrochloride has a molecular weight of 233.75 g/mol, XLogP of 0.78, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(1-cyclopentylethyl)guanidine;hydrochloride is sourced from PubChem (CID 176524233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).