1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine

C16H24N4O — CID 110941078

IUPAC1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(/NCCCn1ccc2ccccc21)NCCOC
InChIInChI=1S/C16H24N4O/c1-17-16(19-10-13-21-2)18-9-5-11-20-12-8-14-6-3-4-7-15(14)20/h3-4,6-8,12H,5,9-11,13H2,1-2H3,(H2,17,18,19)
InChIKeyGXFSHTSPISLVGU-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.84
Rot. Bonds7

About 1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine

1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine (PubChem CID 110941078) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine
PubChem CID110941078
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(/NCCCn1ccc2ccccc21)NCCOC
InChIInChI=1S/C16H24N4O/c1-17-16(19-10-13-21-2)18-9-5-11-20-12-8-14-6-3-4-7-15(14)20/h3-4,6-8,12H,5,9-11,13H2,1-2H3,(H2,17,18,19)
InChIKeyGXFSHTSPISLVGU-UHFFFAOYSA-N
XLogP1.84
TPSA50.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111226439
methyl 3-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]propanoate
CID 111341359
1-(3-indol-1-ylpropyl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylguanidine
CID 111789494
1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341203
1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110953617
N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111341750
1-(3-indol-1-ylpropyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylguanidine
CID 111341983
1-[2-(tert-butylamino)ethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111766146
1-(3-indol-1-ylpropyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111341096
1-[(3,4-dimethoxyphenyl)methyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111201296
1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine
CID 111342033
1-(3-indol-1-ylpropyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111341640

Frequently Asked Questions

What is the IUPAC name of 1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine?
The IUPAC name of 1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine (CID 110941078) is 1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine.
What is the SMILES notation for 1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine?
The canonical SMILES for 1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine is C/N=C(/NCCCn1ccc2ccccc21)NCCOC.
What is the InChIKey of 1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine?
The InChIKey is GXFSHTSPISLVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-17-16(19-10-13-21-2)18-9-5-11-20-12-8-14-6-3-4-7-15(14)20/h3-4,6-8,12H,5,9-11,13H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine?
1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine has a molecular weight of 288.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine is sourced from PubChem (CID 110941078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).