2-butyl-1-(N'-butylcarbamimidoyl)guanidine;hydrochloride

C10H24ClN5 — CID 86583240

IUPAC2-butyl-1-(N'-butylcarbamimidoyl)guanidine;hydrochloride
SMILESCCCC/N=C(\N)N/C(N)=N/CCCC.Cl
InChIInChI=1S/C10H23N5.ClH/c1-3-5-7-13-9(11)15-10(12)14-8-6-4-2;/h3-8H2,1-2H3,(H5,11,12,13,14,15);1H
InChIKeyWVVNGZUFWRJEMF-UHFFFAOYSA-N
MW249.79 g/mol
LogP1.23
Rot. Bonds6

About 2-butyl-1-(N'-butylcarbamimidoyl)guanidine;hydrochloride

2-butyl-1-(N'-butylcarbamimidoyl)guanidine;hydrochloride (PubChem CID 86583240) has the molecular formula C10H24ClN5 and a molecular weight of 249.79 g/mol. Its IUPAC name is 2-butyl-1-(N'-butylcarbamimidoyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-butyl-1-(N'-butylcarbamimidoyl)guanidine;hydrochloride
PubChem CID86583240
Molecular FormulaC10H24ClN5
Molecular Weight249.79 g/mol
Exact Mass249.17
IUPAC Name2-butyl-1-(N'-butylcarbamimidoyl)guanidine;hydrochloride
SMILESCCCC/N=C(\N)N/C(N)=N/CCCC.Cl
InChIInChI=1S/C10H23N5.ClH/c1-3-5-7-13-9(11)15-10(12)14-8-6-4-2;/h3-8H2,1-2H3,(H5,11,12,13,14,15);1H
InChIKeyWVVNGZUFWRJEMF-UHFFFAOYSA-N
XLogP1.23
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 51.23
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(N'-butylcarbamimidoyl)guanidine;hydrochloride?
The IUPAC name of 2-butyl-1-(N'-butylcarbamimidoyl)guanidine;hydrochloride (CID 86583240) is 2-butyl-1-(N'-butylcarbamimidoyl)guanidine;hydrochloride.
What is the SMILES notation for 2-butyl-1-(N'-butylcarbamimidoyl)guanidine;hydrochloride?
The canonical SMILES for 2-butyl-1-(N'-butylcarbamimidoyl)guanidine;hydrochloride is CCCC/N=C(\N)N/C(N)=N/CCCC.Cl.
What is the InChIKey of 2-butyl-1-(N'-butylcarbamimidoyl)guanidine;hydrochloride?
The InChIKey is WVVNGZUFWRJEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5.ClH/c1-3-5-7-13-9(11)15-10(12)14-8-6-4-2;/h3-8H2,1-2H3,(H5,11,12,13,14,15);1H.
What are the key properties of 2-butyl-1-(N'-butylcarbamimidoyl)guanidine;hydrochloride?
2-butyl-1-(N'-butylcarbamimidoyl)guanidine;hydrochloride has a molecular weight of 249.79 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(N'-butylcarbamimidoyl)guanidine;hydrochloride is sourced from PubChem (CID 86583240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).