1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine

C22H36N6 — CID 110997195

IUPAC1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CC(C)CN1CCN(C)CC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H36N6/c1-4-23-22(26-15-18(2)17-28-13-11-27(3)12-14-28)24-10-9-19-16-25-21-8-6-5-7-20(19)21/h5-8,16,18,25H,4,9-15,17H2,1-3H3,(H2,23,24,26)
InChIKeyFIDLVKRPPDDLGT-UHFFFAOYSA-N
MW384.57 g/mol
LogP2.15
Rot. Bonds8

About 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine

1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine (PubChem CID 110997195) has the molecular formula C22H36N6 and a molecular weight of 384.57 g/mol. Its IUPAC name is 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine
PubChem CID110997195
Molecular FormulaC22H36N6
Molecular Weight384.57 g/mol
Exact Mass384.30
IUPAC Name1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine
SMILESCCN/C(=N\CC(C)CN1CCN(C)CC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H36N6/c1-4-23-22(26-15-18(2)17-28-13-11-27(3)12-14-28)24-10-9-19-16-25-21-8-6-5-7-20(19)21/h5-8,16,18,25H,4,9-15,17H2,1-3H3,(H2,23,24,26)
InChIKeyFIDLVKRPPDDLGT-UHFFFAOYSA-N
XLogP2.15
TPSA58.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111889137
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111883291
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 110996346
1-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111714762
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine
CID 110996369
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine
CID 110997307
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110996204
1-ethyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-fluorophenyl)ethyl]guanidine
CID 111362589
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methylmorpholin-4-yl)propyl]guanidine
CID 111833929
1-(2,2-diphenylethyl)-3-ethyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111356841
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 110997165
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111379313

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine (CID 110997195) is 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine is CCN/C(=N\CC(C)CN1CCN(C)CC1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine?
The InChIKey is FIDLVKRPPDDLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6/c1-4-23-22(26-15-18(2)17-28-13-11-27(3)12-14-28)24-10-9-19-16-25-21-8-6-5-7-20(19)21/h5-8,16,18,25H,4,9-15,17H2,1-3H3,(H2,23,24,26).
What are the key properties of 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine?
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine has a molecular weight of 384.57 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine is sourced from PubChem (CID 110997195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).