1-(3-indol-1-ylpropyl)-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine

C24H31N5 — CID 111341963

IUPAC1-(3-indol-1-ylpropyl)-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
SMILESC/N=C(/NCCCn1ccc2ccccc21)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C24H31N5/c1-25-24(26-14-7-15-28-17-13-21-8-5-6-11-23(21)28)27-18-20-12-16-29(19-20)22-9-3-2-4-10-22/h2-6,8-11,13,17,20H,7,12,14-16,18-19H2,1H3,(H2,25,26,27)
InChIKeyPWRGCHMUNCLMBX-UHFFFAOYSA-N
MW389.55 g/mol
LogP3.72
Rot. Bonds7

About 1-(3-indol-1-ylpropyl)-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine

1-(3-indol-1-ylpropyl)-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 111341963) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is 1-(3-indol-1-ylpropyl)-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(3-indol-1-ylpropyl)-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
PubChem CID111341963
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC Name1-(3-indol-1-ylpropyl)-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
SMILESC/N=C(/NCCCn1ccc2ccccc21)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C24H31N5/c1-25-24(26-14-7-15-28-17-13-21-8-5-6-11-23(21)28)27-18-20-12-16-29(19-20)22-9-3-2-4-10-22/h2-6,8-11,13,17,20H,7,12,14-16,18-19H2,1H3,(H2,25,26,27)
InChIKeyPWRGCHMUNCLMBX-UHFFFAOYSA-N
XLogP3.72
TPSA44.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.72
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)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylguanidine
CID 111789494
2-methyl-1-(3-methylbutyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110978614
1-(3-indol-1-ylpropyl)-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 111341188
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111785300
2-methyl-1-(2-phenylethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111134168
1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110953617
1-benzyl-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 110954016
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111410763
1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111226439
1-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341691
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111341790
1-[2-(tert-butylamino)ethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111766146

Frequently Asked Questions

What is the IUPAC name of 1-(3-indol-1-ylpropyl)-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 1-(3-indol-1-ylpropyl)-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine (CID 111341963) is 1-(3-indol-1-ylpropyl)-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(3-indol-1-ylpropyl)-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 1-(3-indol-1-ylpropyl)-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine is C/N=C(/NCCCn1ccc2ccccc21)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of 1-(3-indol-1-ylpropyl)-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is PWRGCHMUNCLMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/c1-25-24(26-14-7-15-28-17-13-21-8-5-6-11-23(21)28)27-18-20-12-16-29(19-20)22-9-3-2-4-10-22/h2-6,8-11,13,17,20H,7,12,14-16,18-19H2,1H3,(H2,25,26,27).
What are the key properties of 1-(3-indol-1-ylpropyl)-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine?
1-(3-indol-1-ylpropyl)-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine has a molecular weight of 389.55 g/mol, XLogP of 3.72, 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)-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 111341963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).