1-butyl-2-propylguanidine;hydrochloride

C8H20ClN3 — CID 45261166

IUPAC1-butyl-2-propylguanidine;hydrochloride
SMILESCCCCN/C(N)=N/CCC.Cl
InChIInChI=1S/C8H19N3.ClH/c1-3-5-7-11-8(9)10-6-4-2;/h3-7H2,1-2H3,(H3,9,10,11);1H
InChIKeyNGUFRJWNJKPDGV-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.52
Rot. Bonds5

About 1-butyl-2-propylguanidine;hydrochloride

1-butyl-2-propylguanidine;hydrochloride (PubChem CID 45261166) has the molecular formula C8H20ClN3 and a molecular weight of 193.72 g/mol. Its IUPAC name is 1-butyl-2-propylguanidine;hydrochloride.

Molecular Properties

Compound Name1-butyl-2-propylguanidine;hydrochloride
PubChem CID45261166
Molecular FormulaC8H20ClN3
Molecular Weight193.72 g/mol
Exact Mass193.13
IUPAC Name1-butyl-2-propylguanidine;hydrochloride
SMILESCCCCN/C(N)=N/CCC.Cl
InChIInChI=1S/C8H19N3.ClH/c1-3-5-7-11-8(9)10-6-4-2;/h3-7H2,1-2H3,(H3,9,10,11);1H
InChIKeyNGUFRJWNJKPDGV-UHFFFAOYSA-N
XLogP1.52
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1-butyl-2-propylguanidine;hydrochloride?
The IUPAC name of 1-butyl-2-propylguanidine;hydrochloride (CID 45261166) is 1-butyl-2-propylguanidine;hydrochloride.
What is the SMILES notation for 1-butyl-2-propylguanidine;hydrochloride?
The canonical SMILES for 1-butyl-2-propylguanidine;hydrochloride is CCCCN/C(N)=N/CCC.Cl.
What is the InChIKey of 1-butyl-2-propylguanidine;hydrochloride?
The InChIKey is NGUFRJWNJKPDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3.ClH/c1-3-5-7-11-8(9)10-6-4-2;/h3-7H2,1-2H3,(H3,9,10,11);1H.
What are the key properties of 1-butyl-2-propylguanidine;hydrochloride?
1-butyl-2-propylguanidine;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-propylguanidine;hydrochloride is sourced from PubChem (CID 45261166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).