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

C11H17IN4 — CID 120580407

IUPAC2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
SMILESI.NC(N)=NCc1ccc2c(n1)CCCC2
InChIInChI=1S/C11H16N4.HI/c12-11(13)14-7-9-6-5-8-3-1-2-4-10(8)15-9;/h5-6H,1-4,7H2,(H4,12,13,14);1H
InChIKeyYYWOTCDRLVWDMV-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.35
Rot. Bonds2

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

2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 120580407) has the molecular formula C11H17IN4 and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
PubChem CID120580407
Molecular FormulaC11H17IN4
Molecular Weight332.19 g/mol
Exact Mass332.05
IUPAC Name2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
SMILESI.NC(N)=NCc1ccc2c(n1)CCCC2
InChIInChI=1S/C11H16N4.HI/c12-11(13)14-7-9-6-5-8-3-1-2-4-10(8)15-9;/h5-6H,1-4,7H2,(H4,12,13,14);1H
InChIKeyYYWOTCDRLVWDMV-UHFFFAOYSA-N
XLogP1.35
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.35
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-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580606
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
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-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride
CID 138374175
2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 120580645
2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 122650556
1-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 120580620
2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine
CID 118730516
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)ethanamine
CID 130164614
5,6,7,8-tetrahydroquinolin-2-amine;hydrochloride
CID 174664559

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide (CID 120580407) is 2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide is I.NC(N)=NCc1ccc2c(n1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is YYWOTCDRLVWDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4.HI/c12-11(13)14-7-9-6-5-8-3-1-2-4-10(8)15-9;/h5-6H,1-4,7H2,(H4,12,13,14);1H.
What are the key properties of 2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide?
2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 332.19 g/mol, XLogP of 1.35, 2 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-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 120580407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).