2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine

C18H22N4S — CID 111806432

IUPAC2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CCCc1c[nH]c2ccccc12)NCCc1cccs1
InChIInChI=1S/C18H22N4S/c19-18(21-11-9-15-6-4-12-23-15)20-10-3-5-14-13-22-17-8-2-1-7-16(14)17/h1-2,4,6-8,12-13,22H,3,5,9-11H2,(H3,19,20,21)
InChIKeyVWHZSOSCCHIYFE-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.31
Rot. Bonds7

About 2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine

2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111806432) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
PubChem CID111806432
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Name2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CCCc1c[nH]c2ccccc12)NCCc1cccs1
InChIInChI=1S/C18H22N4S/c19-18(21-11-9-15-6-4-12-23-15)20-10-3-5-14-13-22-17-8-2-1-7-16(14)17/h1-2,4,6-8,12-13,22H,3,5,9-11H2,(H3,19,20,21)
InChIKeyVWHZSOSCCHIYFE-UHFFFAOYSA-N
XLogP3.31
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.31
H-Bond Donors ≤ 53
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-ethyl-2-[3-(1H-indol-3-yl)propyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111753354
1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806494
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111800554
2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 111108916
2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111024901
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
1-ethyl-3-[3-(1H-indol-3-yl)propyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111753311
2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111022609
2-[7-(dimethylamino)heptyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111084900
1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 86812869
2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
CID 111806458
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 4719995

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine (CID 111806432) is 2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine is N/C(=N\CCCc1c[nH]c2ccccc12)NCCc1cccs1.
What is the InChIKey of 2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is VWHZSOSCCHIYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c19-18(21-11-9-15-6-4-12-23-15)20-10-3-5-14-13-22-17-8-2-1-7-16(14)17/h1-2,4,6-8,12-13,22H,3,5,9-11H2,(H3,19,20,21).
What are the key properties of 2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine?
2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 326.47 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-indol-3-yl)propyl]-1-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111806432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).