1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide

C17H21IN4 — CID 120580606

IUPAC1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc2c(n1)CCCC2)Nc1ccccc1
InChIInChI=1S/C17H20N4.HI/c18-17(21-14-7-2-1-3-8-14)19-12-15-11-10-13-6-4-5-9-16(13)20-15;/h1-3,7-8,10-11H,4-6,9,12H2,(H3,18,19,21);1H
InChIKeyYMDFBQJEDKYJPR-UHFFFAOYSA-N
MW408.29 g/mol
LogP3.51
Rot. Bonds3

About 1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide

1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 120580606) has the molecular formula C17H21IN4 and a molecular weight of 408.29 g/mol. Its IUPAC name is 1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
PubChem CID120580606
Molecular FormulaC17H21IN4
Molecular Weight408.29 g/mol
Exact Mass408.08
IUPAC Name1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc2c(n1)CCCC2)Nc1ccccc1
InChIInChI=1S/C17H20N4.HI/c18-17(21-14-7-2-1-3-8-14)19-12-15-11-10-13-6-4-5-9-16(13)20-15;/h1-3,7-8,10-11H,4-6,9,12H2,(H3,18,19,21);1H
InChIKeyYMDFBQJEDKYJPR-UHFFFAOYSA-N
XLogP3.51
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.51
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580654
1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580650
2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580407
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-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine
CID 120580617
2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine
CID 118730516
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine
CID 62848306
2-benzyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111022842
1-phenyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 110927486
2-benzyl-1-phenylguanidine
CID 12910062

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide (CID 120580606) is 1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide is I.N/C(=N\Cc1ccc2c(n1)CCCC2)Nc1ccccc1.
What is the InChIKey of 1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is YMDFBQJEDKYJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4.HI/c18-17(21-14-7-2-1-3-8-14)19-12-15-11-10-13-6-4-5-9-16(13)20-15;/h1-3,7-8,10-11H,4-6,9,12H2,(H3,18,19,21);1H.
What are the key properties of 1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide?
1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 408.29 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 120580606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).