2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine

C15H18N4O — CID 118730516

IUPAC2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine
SMILESN/C(=N\Cc1ccco1)Nc1ccc2c(n1)CCCC2
InChIInChI=1S/C15H18N4O/c16-15(17-10-12-5-3-9-20-12)19-14-8-7-11-4-1-2-6-13(11)18-14/h3,5,7-9H,1-2,4,6,10H2,(H3,16,17,18,19)
InChIKeyTYBWDPQQOPIKEB-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.48
Rot. Bonds3

About 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine

2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine (PubChem CID 118730516) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine
PubChem CID118730516
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine
SMILESN/C(=N\Cc1ccco1)Nc1ccc2c(n1)CCCC2
InChIInChI=1S/C15H18N4O/c16-15(17-10-12-5-3-9-20-12)19-14-8-7-11-4-1-2-6-13(11)18-14/h3,5,7-9H,1-2,4,6,10H2,(H3,16,17,18,19)
InChIKeyTYBWDPQQOPIKEB-UHFFFAOYSA-N
XLogP2.48
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
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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Related Compounds

1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580606
N-(5,6,7,8-tetrahydroquinolin-2-yl)acetamide
CID 10035435
2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580407
1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580654
1-(2,6-diethylphenyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111022365
1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110918899
2-(furan-2-ylmethyl)-1-propylguanidine
CID 62362161
1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine
CID 120580617
1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine
CID 120580651
2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 120580645
1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580650
2-(furan-2-ylmethyl)-1-octylguanidine
CID 111022361

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine?
The IUPAC name of 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine (CID 118730516) is 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine.
What is the SMILES notation for 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine?
The canonical SMILES for 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine is N/C(=N\Cc1ccco1)Nc1ccc2c(n1)CCCC2.
What is the InChIKey of 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine?
The InChIKey is TYBWDPQQOPIKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-15(17-10-12-5-3-9-20-12)19-14-8-7-11-4-1-2-6-13(11)18-14/h3,5,7-9H,1-2,4,6,10H2,(H3,16,17,18,19).
What are the key properties of 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine?
2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine has a molecular weight of 270.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine is sourced from PubChem (CID 118730516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).