2-[6-(ethylamino)-3-pyridinyl]guanidine;hydrochloride

C8H14ClN5 — CID 118730395

IUPAC2-[6-(ethylamino)-3-pyridinyl]guanidine;hydrochloride
SMILESCCNc1ccc(N=C(N)N)cn1.Cl
InChIInChI=1S/C8H13N5.ClH/c1-2-11-7-4-3-6(5-12-7)13-8(9)10;/h3-5H,2H2,1H3,(H,11,12)(H4,9,10,13);1H
InChIKeyWIBDBHPFTTVKAO-UHFFFAOYSA-N
MW215.69 g/mol
LogP0.84
Rot. Bonds3

About 2-[6-(ethylamino)-3-pyridinyl]guanidine;hydrochloride

2-[6-(ethylamino)-3-pyridinyl]guanidine;hydrochloride (PubChem CID 118730395) has the molecular formula C8H14ClN5 and a molecular weight of 215.69 g/mol. Its IUPAC name is 2-[6-(ethylamino)-3-pyridinyl]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[6-(ethylamino)-3-pyridinyl]guanidine;hydrochloride
PubChem CID118730395
Molecular FormulaC8H14ClN5
Molecular Weight215.69 g/mol
Exact Mass215.09
IUPAC Name2-[6-(ethylamino)-3-pyridinyl]guanidine;hydrochloride
SMILESCCNc1ccc(N=C(N)N)cn1.Cl
InChIInChI=1S/C8H13N5.ClH/c1-2-11-7-4-3-6(5-12-7)13-8(9)10;/h3-5H,2H2,1H3,(H,11,12)(H4,9,10,13);1H
InChIKeyWIBDBHPFTTVKAO-UHFFFAOYSA-N
XLogP0.84
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.69
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-[6-(ethylamino)-3-pyridinyl]guanidine;hydrochloride?
The IUPAC name of 2-[6-(ethylamino)-3-pyridinyl]guanidine;hydrochloride (CID 118730395) is 2-[6-(ethylamino)-3-pyridinyl]guanidine;hydrochloride.
What is the SMILES notation for 2-[6-(ethylamino)-3-pyridinyl]guanidine;hydrochloride?
The canonical SMILES for 2-[6-(ethylamino)-3-pyridinyl]guanidine;hydrochloride is CCNc1ccc(N=C(N)N)cn1.Cl.
What is the InChIKey of 2-[6-(ethylamino)-3-pyridinyl]guanidine;hydrochloride?
The InChIKey is WIBDBHPFTTVKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5.ClH/c1-2-11-7-4-3-6(5-12-7)13-8(9)10;/h3-5H,2H2,1H3,(H,11,12)(H4,9,10,13);1H.
What are the key properties of 2-[6-(ethylamino)-3-pyridinyl]guanidine;hydrochloride?
2-[6-(ethylamino)-3-pyridinyl]guanidine;hydrochloride has a molecular weight of 215.69 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(ethylamino)-3-pyridinyl]guanidine;hydrochloride is sourced from PubChem (CID 118730395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).