2-butyl-1-carbamimidoylguanidine;hydrochloride

C6H16ClN5 — CID 176516537

IUPAC2-butyl-1-carbamimidoylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C6H15N5.ClH/c1-2-3-4-10-6(9)11-5(7)8;/h2-4H2,1H3,(H6,7,8,9,10,11);1H
InChIKeyKKLWSPPIRBIEOV-UHFFFAOYSA-N
MW193.68 g/mol
LogP0.01
Rot. Bonds3

About 2-butyl-1-carbamimidoylguanidine;hydrochloride

2-butyl-1-carbamimidoylguanidine;hydrochloride (PubChem CID 176516537) has the molecular formula C6H16ClN5 and a molecular weight of 193.68 g/mol. Its IUPAC name is 2-butyl-1-carbamimidoylguanidine;hydrochloride.

Molecular Properties

Compound Name2-butyl-1-carbamimidoylguanidine;hydrochloride
PubChem CID176516537
Molecular FormulaC6H16ClN5
Molecular Weight193.68 g/mol
Exact Mass193.11
IUPAC Name2-butyl-1-carbamimidoylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C6H15N5.ClH/c1-2-3-4-10-6(9)11-5(7)8;/h2-4H2,1H3,(H6,7,8,9,10,11);1H
InChIKeyKKLWSPPIRBIEOV-UHFFFAOYSA-N
XLogP0.01
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-carbamimidamidomethanimidamide
CID 176516704
Buformin Hydrochloride
CID 84976
N-Butyl-N'-cyanoguanidine
CID 218734
Gliporal
CID 135624041
iBuB hydrochloride
CID 176521023
N1,N5-dibutylbiguanide hydrochloride
CID 86583240
2-butyl-1-(N'-butylcarbamimidoyl)guanidine
CID 58402
Hexyl Biguanide HCl
CID 176518460
1-Carbamimidoyl-2-hexylguanidine
CID 176518657
[amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium
CID 57564981
[amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride
CID 169428159
1-Carbamimidoyl-2-propan-2-ylguanidine;hydrochloride
CID 176520167

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-carbamimidoylguanidine;hydrochloride?
The IUPAC name of 2-butyl-1-carbamimidoylguanidine;hydrochloride (CID 176516537) is 2-butyl-1-carbamimidoylguanidine;hydrochloride.
What is the SMILES notation for 2-butyl-1-carbamimidoylguanidine;hydrochloride?
The canonical SMILES for 2-butyl-1-carbamimidoylguanidine;hydrochloride is Cl.[H]/N=C(\N)N/C(N)=N/CCCC.
What is the InChIKey of 2-butyl-1-carbamimidoylguanidine;hydrochloride?
The InChIKey is KKLWSPPIRBIEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5.ClH/c1-2-3-4-10-6(9)11-5(7)8;/h2-4H2,1H3,(H6,7,8,9,10,11);1H.
What are the key properties of 2-butyl-1-carbamimidoylguanidine;hydrochloride?
2-butyl-1-carbamimidoylguanidine;hydrochloride has a molecular weight of 193.68 g/mol, XLogP of 0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-carbamimidoylguanidine;hydrochloride is sourced from PubChem (CID 176516537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).