1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide

C20H27IN4S — CID 111983954

IUPAC1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
SMILESC/N=C(/NCCCc1c[nH]c2ccccc12)NCC(C)c1ccsc1.I
InChIInChI=1S/C20H26N4S.HI/c1-15(17-9-11-25-14-17)12-24-20(21-2)22-10-5-6-16-13-23-19-8-4-3-7-18(16)19;/h3-4,7-9,11,13-15,23H,5-6,10,12H2,1-2H3,(H2,21,22,24);1H
InChIKeyTYODWABLNOBNSX-UHFFFAOYSA-N
MW482.44 g/mol
LogP4.75
Rot. Bonds7

About 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide

1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide (PubChem CID 111983954) has the molecular formula C20H27IN4S and a molecular weight of 482.44 g/mol. Its IUPAC name is 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
PubChem CID111983954
Molecular FormulaC20H27IN4S
Molecular Weight482.44 g/mol
Exact Mass482.10
IUPAC Name1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
SMILESC/N=C(/NCCCc1c[nH]c2ccccc12)NCC(C)c1ccsc1.I
InChIInChI=1S/C20H26N4S.HI/c1-15(17-9-11-25-14-17)12-24-20(21-2)22-10-5-6-16-13-23-19-8-4-3-7-18(16)19;/h3-4,7-9,11,13-15,23H,5-6,10,12H2,1-2H3,(H2,21,22,24);1H
InChIKeyTYODWABLNOBNSX-UHFFFAOYSA-N
XLogP4.75
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.44
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)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

1-butyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703317
1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 111548071
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-pentylguanidine
CID 111753236
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111753394
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111987606
1-[3-(ethylsulfonylamino)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111702765
methyl 7-[[N'-methyl-N-(2-thiophen-3-ylpropyl)carbamimidoyl]amino]heptanoate;hydroiodide
CID 111703909
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111987746
1-[3-(diethylamino)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111702757
1-[2-(2-fluorophenyl)ethyl]-3-[3-(1H-indol-3-yl)propyl]-2-methylguanidine
CID 111753365
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111983536
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 110997130

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide (CID 111983954) is 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide is C/N=C(/NCCCc1c[nH]c2ccccc12)NCC(C)c1ccsc1.I.
What is the InChIKey of 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide?
The InChIKey is TYODWABLNOBNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4S.HI/c1-15(17-9-11-25-14-17)12-24-20(21-2)22-10-5-6-16-13-23-19-8-4-3-7-18(16)19;/h3-4,7-9,11,13-15,23H,5-6,10,12H2,1-2H3,(H2,21,22,24);1H.
What are the key properties of 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide?
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide has a molecular weight of 482.44 g/mol, XLogP of 4.75, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111983954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).