2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide

C21H27IN4S — CID 111673037

IUPAC2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
SMILESC/N=C(/NCCc1cccc2cccnc12)NCC(C)Cc1cccs1.I
InChIInChI=1S/C21H26N4S.HI/c1-16(14-19-9-5-13-26-19)15-25-21(22-2)24-12-10-18-7-3-6-17-8-4-11-23-20(17)18;/h3-9,11,13,16H,10,12,14-15H2,1-2H3,(H2,22,24,25);1H
InChIKeyBHQABDIMWIRBRJ-UHFFFAOYSA-N
MW494.45 g/mol
LogP4.50
Rot. Bonds7

About 2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide

2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide (PubChem CID 111673037) has the molecular formula C21H27IN4S and a molecular weight of 494.45 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
PubChem CID111673037
Molecular FormulaC21H27IN4S
Molecular Weight494.45 g/mol
Exact Mass494.10
IUPAC Name2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
SMILESC/N=C(/NCCc1cccc2cccnc12)NCC(C)Cc1cccs1.I
InChIInChI=1S/C21H26N4S.HI/c1-16(14-19-9-5-13-26-19)15-25-21(22-2)24-12-10-18-7-3-6-17-8-4-11-23-20(17)18;/h3-9,11,13,16H,10,12,14-15H2,1-2H3,(H2,22,24,25);1H
InChIKeyBHQABDIMWIRBRJ-UHFFFAOYSA-N
XLogP4.50
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.45
LogP ≤ 54.50
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111516658
2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-phenylethyl)guanidine;hydroiodide
CID 111510571
2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111673971
2-methyl-1-(3-methylbutyl)-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111494987
2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine
CID 111002709
1-ethyl-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673325
2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111673383
1-(2-methoxyethyl)-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111491931
2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111193893
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111516755
1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 116510983
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111682143

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide (CID 111673037) is 2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide is C/N=C(/NCCc1cccc2cccnc12)NCC(C)Cc1cccs1.I.
What is the InChIKey of 2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide?
The InChIKey is BHQABDIMWIRBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4S.HI/c1-16(14-19-9-5-13-26-19)15-25-21(22-2)24-12-10-18-7-3-6-17-8-4-11-23-20(17)18;/h3-9,11,13,16H,10,12,14-15H2,1-2H3,(H2,22,24,25);1H.
What are the key properties of 2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide?
2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide has a molecular weight of 494.45 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111673037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).