1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide

C16H25IN4 — CID 111226439

IUPAC1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCCCn1ccc2ccccc21.I
InChIInChI=1S/C16H24N4.HI/c1-3-10-18-16(17-2)19-11-6-12-20-13-9-14-7-4-5-8-15(14)20;/h4-5,7-9,13H,3,6,10-12H2,1-2H3,(H2,17,18,19);1H
InChIKeyMGNPFWLUWVGWGN-UHFFFAOYSA-N
MW400.31 g/mol
LogP3.22
Rot. Bonds6

About 1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide

1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide (PubChem CID 111226439) has the molecular formula C16H25IN4 and a molecular weight of 400.31 g/mol. Its IUPAC name is 1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide
PubChem CID111226439
Molecular FormulaC16H25IN4
Molecular Weight400.31 g/mol
Exact Mass400.11
IUPAC Name1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCCCn1ccc2ccccc21.I
InChIInChI=1S/C16H24N4.HI/c1-3-10-18-16(17-2)19-11-6-12-20-13-9-14-7-4-5-8-15(14)20;/h4-5,7-9,13H,3,6,10-12H2,1-2H3,(H2,17,18,19);1H
InChIKeyMGNPFWLUWVGWGN-UHFFFAOYSA-N
XLogP3.22
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 53.22
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-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111341640
1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110953617
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-(2-pyrazol-1-ylethyl)guanidine
CID 111342033
1-[4-(diethylamino)butyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341527
1-butan-2-yl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110944723
N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111341750
1-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341691
ethyl 4-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]butanoate;hydroiodide
CID 111341048
1-(3-indol-1-ylpropyl)-2-methyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111341528

Frequently Asked Questions

What is the IUPAC name of 1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide?
The IUPAC name of 1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide (CID 111226439) is 1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide.
What is the SMILES notation for 1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide?
The canonical SMILES for 1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide is CCCN/C(=N\C)NCCCn1ccc2ccccc21.I.
What is the InChIKey of 1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide?
The InChIKey is MGNPFWLUWVGWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4.HI/c1-3-10-18-16(17-2)19-11-6-12-20-13-9-14-7-4-5-8-15(14)20;/h4-5,7-9,13H,3,6,10-12H2,1-2H3,(H2,17,18,19);1H.
What are the key properties of 1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide?
1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide has a molecular weight of 400.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide is sourced from PubChem (CID 111226439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).