1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide

C20H25IN4 — CID 110953617

IUPAC1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCCCn1ccc2ccccc21)NCc1ccccc1.I
InChIInChI=1S/C20H24N4.HI/c1-21-20(23-16-17-8-3-2-4-9-17)22-13-7-14-24-15-12-18-10-5-6-11-19(18)24;/h2-6,8-12,15H,7,13-14,16H2,1H3,(H2,21,22,23);1H
InChIKeyOCFQCQAYCZEJDN-UHFFFAOYSA-N
MW448.35 g/mol
LogP4.01
Rot. Bonds6

About 1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide

1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide (PubChem CID 110953617) has the molecular formula C20H25IN4 and a molecular weight of 448.35 g/mol. Its IUPAC name is 1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
PubChem CID110953617
Molecular FormulaC20H25IN4
Molecular Weight448.35 g/mol
Exact Mass448.11
IUPAC Name1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCCCn1ccc2ccccc21)NCc1ccccc1.I
InChIInChI=1S/C20H24N4.HI/c1-21-20(23-16-17-8-3-2-4-9-17)22-13-7-14-24-15-12-18-10-5-6-11-19(18)24;/h2-6,8-12,15H,7,13-14,16H2,1H3,(H2,21,22,23);1H
InChIKeyOCFQCQAYCZEJDN-UHFFFAOYSA-N
XLogP4.01
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111226439
1-(3-indol-1-ylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine
CID 111341321
1-[2-(benzylsulfamoyl)ethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341141
1-[(3,4-dimethoxyphenyl)methyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111201296
N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111341750
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341837
1-[2-(tert-butylamino)ethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111766146
1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341203
1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 110941078
1-(3-indol-1-ylpropyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111341640
1-(3-indol-1-ylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 111341331
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111341584

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide (CID 110953617) is 1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide is C/N=C(/NCCCn1ccc2ccccc21)NCc1ccccc1.I.
What is the InChIKey of 1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide?
The InChIKey is OCFQCQAYCZEJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4.HI/c1-21-20(23-16-17-8-3-2-4-9-17)22-13-7-14-24-15-12-18-10-5-6-11-19(18)24;/h2-6,8-12,15H,7,13-14,16H2,1H3,(H2,21,22,23);1H.
What are the key properties of 1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide?
1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide has a molecular weight of 448.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110953617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).