1-(5-methyl-2-pyridinyl)-2-propylguanidine;hydrochloride

C10H17ClN4 — CID 56837267

IUPAC1-(5-methyl-2-pyridinyl)-2-propylguanidine;hydrochloride
SMILESCCC/N=C(\N)Nc1ccc(C)cn1.Cl
InChIInChI=1S/C10H16N4.ClH/c1-3-6-12-10(11)14-9-5-4-8(2)7-13-9;/h4-5,7H,3,6H2,1-2H3,(H3,11,12,13,14);1H
InChIKeyIJGMZJSJGPXNNL-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.95
Rot. Bonds3

About 1-(5-methyl-2-pyridinyl)-2-propylguanidine;hydrochloride

1-(5-methyl-2-pyridinyl)-2-propylguanidine;hydrochloride (PubChem CID 56837267) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-2-propylguanidine;hydrochloride.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-2-propylguanidine;hydrochloride
PubChem CID56837267
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name1-(5-methyl-2-pyridinyl)-2-propylguanidine;hydrochloride
SMILESCCC/N=C(\N)Nc1ccc(C)cn1.Cl
InChIInChI=1S/C10H16N4.ClH/c1-3-6-12-10(11)14-9-5-4-8(2)7-13-9;/h4-5,7H,3,6H2,1-2H3,(H3,11,12,13,14);1H
InChIKeyIJGMZJSJGPXNNL-UHFFFAOYSA-N
XLogP1.95
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.95
H-Bond Donors ≤ 52
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-(5-methyl-2-pyridinyl)-2-propylguanidine;hydrochloride?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-2-propylguanidine;hydrochloride (CID 56837267) is 1-(5-methyl-2-pyridinyl)-2-propylguanidine;hydrochloride.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-2-propylguanidine;hydrochloride?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-2-propylguanidine;hydrochloride is CCC/N=C(\N)Nc1ccc(C)cn1.Cl.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-2-propylguanidine;hydrochloride?
The InChIKey is IJGMZJSJGPXNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4.ClH/c1-3-6-12-10(11)14-9-5-4-8(2)7-13-9;/h4-5,7H,3,6H2,1-2H3,(H3,11,12,13,14);1H.
What are the key properties of 1-(5-methyl-2-pyridinyl)-2-propylguanidine;hydrochloride?
1-(5-methyl-2-pyridinyl)-2-propylguanidine;hydrochloride has a molecular weight of 228.73 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-2-propylguanidine;hydrochloride is sourced from PubChem (CID 56837267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).