1-ethyl-2-(3-indol-1-ylpropyl)-3-(2-methylcyclopropyl)guanidine

C18H26N4 — CID 111341423

IUPAC1-ethyl-2-(3-indol-1-ylpropyl)-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\CCCn1ccc2ccccc21)NC1CC1C
InChIInChI=1S/C18H26N4/c1-3-19-18(21-16-13-14(16)2)20-10-6-11-22-12-9-15-7-4-5-8-17(15)22/h4-5,7-9,12,14,16H,3,6,10-11,13H2,1-2H3,(H2,19,20,21)
InChIKeyACFMJSIINXWGGO-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.99
Rot. Bonds6

About 1-ethyl-2-(3-indol-1-ylpropyl)-3-(2-methylcyclopropyl)guanidine

1-ethyl-2-(3-indol-1-ylpropyl)-3-(2-methylcyclopropyl)guanidine (PubChem CID 111341423) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-ethyl-2-(3-indol-1-ylpropyl)-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(3-indol-1-ylpropyl)-3-(2-methylcyclopropyl)guanidine
PubChem CID111341423
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-ethyl-2-(3-indol-1-ylpropyl)-3-(2-methylcyclopropyl)guanidine
SMILESCCN/C(=N\CCCn1ccc2ccccc21)NC1CC1C
InChIInChI=1S/C18H26N4/c1-3-19-18(21-16-13-14(16)2)20-10-6-11-22-12-9-15-7-4-5-8-17(15)22/h4-5,7-9,12,14,16H,3,6,10-11,13H2,1-2H3,(H2,19,20,21)
InChIKeyACFMJSIINXWGGO-UHFFFAOYSA-N
XLogP2.99
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.99
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'}

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-(3-indol-1-ylpropyl)guanidine
CID 111141217
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 111141216
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-(3-indol-1-ylpropyl)guanidine
CID 109440421
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 109440420
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-(3-indol-1-ylpropyl)guanidine
CID 111341379
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 111341378
1-ethyl-2-[3-(N-methylanilino)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111953398
1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 111341258
1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111341128
1-ethyl-2-[4-(N-methylanilino)butyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111961606
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethyl-2-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 111830782
N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide
CID 111342083

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-indol-1-ylpropyl)-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 1-ethyl-2-(3-indol-1-ylpropyl)-3-(2-methylcyclopropyl)guanidine (CID 111341423) is 1-ethyl-2-(3-indol-1-ylpropyl)-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(3-indol-1-ylpropyl)-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 1-ethyl-2-(3-indol-1-ylpropyl)-3-(2-methylcyclopropyl)guanidine is CCN/C(=N\CCCn1ccc2ccccc21)NC1CC1C.
What is the InChIKey of 1-ethyl-2-(3-indol-1-ylpropyl)-3-(2-methylcyclopropyl)guanidine?
The InChIKey is ACFMJSIINXWGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-3-19-18(21-16-13-14(16)2)20-10-6-11-22-12-9-15-7-4-5-8-17(15)22/h4-5,7-9,12,14,16H,3,6,10-11,13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-(3-indol-1-ylpropyl)-3-(2-methylcyclopropyl)guanidine?
1-ethyl-2-(3-indol-1-ylpropyl)-3-(2-methylcyclopropyl)guanidine has a molecular weight of 298.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-indol-1-ylpropyl)-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 111341423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).