2-(5,6,7,8-tetrahydroquinolin-3-yl)guanidine;hydrochloride

C10H15ClN4 — CID 118730393

IUPAC2-(5,6,7,8-tetrahydroquinolin-3-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1cnc2c(c1)CCCC2
InChIInChI=1S/C10H14N4.ClH/c11-10(12)14-8-5-7-3-1-2-4-9(7)13-6-8;/h5-6H,1-4H2,(H4,11,12,14);1H
InChIKeyOKARPRUVRCNIIG-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.29
Rot. Bonds1

About 2-(5,6,7,8-tetrahydroquinolin-3-yl)guanidine;hydrochloride

2-(5,6,7,8-tetrahydroquinolin-3-yl)guanidine;hydrochloride (PubChem CID 118730393) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydroquinolin-3-yl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydroquinolin-3-yl)guanidine;hydrochloride
PubChem CID118730393
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name2-(5,6,7,8-tetrahydroquinolin-3-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1cnc2c(c1)CCCC2
InChIInChI=1S/C10H14N4.ClH/c11-10(12)14-8-5-7-3-1-2-4-9(7)13-6-8;/h5-6H,1-4H2,(H4,11,12,14);1H
InChIKeyOKARPRUVRCNIIG-UHFFFAOYSA-N
XLogP1.29
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.29
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 2-(5,6,7,8-tetrahydroquinolin-3-yl)guanidine;hydrochloride?
The IUPAC name of 2-(5,6,7,8-tetrahydroquinolin-3-yl)guanidine;hydrochloride (CID 118730393) is 2-(5,6,7,8-tetrahydroquinolin-3-yl)guanidine;hydrochloride.
What is the SMILES notation for 2-(5,6,7,8-tetrahydroquinolin-3-yl)guanidine;hydrochloride?
The canonical SMILES for 2-(5,6,7,8-tetrahydroquinolin-3-yl)guanidine;hydrochloride is Cl.NC(N)=Nc1cnc2c(c1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydroquinolin-3-yl)guanidine;hydrochloride?
The InChIKey is OKARPRUVRCNIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4.ClH/c11-10(12)14-8-5-7-3-1-2-4-9(7)13-6-8;/h5-6H,1-4H2,(H4,11,12,14);1H.
What are the key properties of 2-(5,6,7,8-tetrahydroquinolin-3-yl)guanidine;hydrochloride?
2-(5,6,7,8-tetrahydroquinolin-3-yl)guanidine;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydroquinolin-3-yl)guanidine;hydrochloride is sourced from PubChem (CID 118730393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).