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

C10H22ClN5 — CID 176526310

IUPAC1-carbamimidoyl-2-(1-cyclopentylpropyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/C(CC)C1CCCC1
InChIInChI=1S/C10H21N5.ClH/c1-2-8(7-5-3-4-6-7)14-10(13)15-9(11)12;/h7-8H,2-6H2,1H3,(H6,11,12,13,14,15);1H
InChIKeyQCTGMMBIUXFCSZ-UHFFFAOYSA-N
MW247.77 g/mol
LogP1.17
Rot. Bonds3

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

1-carbamimidoyl-2-(1-cyclopentylpropyl)guanidine;hydrochloride (PubChem CID 176526310) has the molecular formula C10H22ClN5 and a molecular weight of 247.77 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(1-cyclopentylpropyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-carbamimidoyl-2-(1-cyclopentylpropyl)guanidine;hydrochloride
PubChem CID176526310
Molecular FormulaC10H22ClN5
Molecular Weight247.77 g/mol
Exact Mass247.16
IUPAC Name1-carbamimidoyl-2-(1-cyclopentylpropyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/C(CC)C1CCCC1
InChIInChI=1S/C10H21N5.ClH/c1-2-8(7-5-3-4-6-7)14-10(13)15-9(11)12;/h7-8H,2-6H2,1H3,(H6,11,12,13,14,15);1H
InChIKeyQCTGMMBIUXFCSZ-UHFFFAOYSA-N
XLogP1.17
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 51.17
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-cyclopentylpropyl)guanidine;hydrochloride?
The IUPAC name of 1-carbamimidoyl-2-(1-cyclopentylpropyl)guanidine;hydrochloride (CID 176526310) is 1-carbamimidoyl-2-(1-cyclopentylpropyl)guanidine;hydrochloride.
What is the SMILES notation for 1-carbamimidoyl-2-(1-cyclopentylpropyl)guanidine;hydrochloride?
The canonical SMILES for 1-carbamimidoyl-2-(1-cyclopentylpropyl)guanidine;hydrochloride is Cl.[H]/N=C(\N)N/C(N)=N/C(CC)C1CCCC1.
What is the InChIKey of 1-carbamimidoyl-2-(1-cyclopentylpropyl)guanidine;hydrochloride?
The InChIKey is QCTGMMBIUXFCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5.ClH/c1-2-8(7-5-3-4-6-7)14-10(13)15-9(11)12;/h7-8H,2-6H2,1H3,(H6,11,12,13,14,15);1H.
What are the key properties of 1-carbamimidoyl-2-(1-cyclopentylpropyl)guanidine;hydrochloride?
1-carbamimidoyl-2-(1-cyclopentylpropyl)guanidine;hydrochloride has a molecular weight of 247.77 g/mol, XLogP of 1.17, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(1-cyclopentylpropyl)guanidine;hydrochloride is sourced from PubChem (CID 176526310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).