1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine

C17H25FN4 — CID 111802162

IUPAC1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine
SMILESCCCCCC/N=C(\N)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H25FN4/c1-2-3-4-5-9-20-17(19)21-10-8-13-12-22-16-7-6-14(18)11-15(13)16/h6-7,11-12,22H,2-5,8-10H2,1H3,(H3,19,20,21)
InChIKeyLUCFOYXUAFXLAD-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.33
Rot. Bonds8

About 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine

1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine (PubChem CID 111802162) has the molecular formula C17H25FN4 and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine.

Molecular Properties

Compound Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine
PubChem CID111802162
Molecular FormulaC17H25FN4
Molecular Weight304.41 g/mol
Exact Mass304.21
IUPAC Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine
SMILESCCCCCC/N=C(\N)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H25FN4/c1-2-3-4-5-9-20-17(19)21-10-8-13-12-22-16-7-6-14(18)11-15(13)16/h6-7,11-12,22H,2-5,8-10H2,1H3,(H3,19,20,21)
InChIKeyLUCFOYXUAFXLAD-UHFFFAOYSA-N
XLogP3.33
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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

2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111973314
N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine
CID 141110811
1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806494
methyl 7-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]heptanoate;hydroiodide
CID 111972615
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-propan-2-yloxypropyl)guanidine
CID 111788275
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 111972261
2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111424482
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide
CID 111972304
1-(3-ethylphenyl)-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111802087
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111547773
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111788208

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine?
The IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine (CID 111802162) is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine.
What is the SMILES notation for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine?
The canonical SMILES for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine is CCCCCC/N=C(\N)NCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine?
The InChIKey is LUCFOYXUAFXLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4/c1-2-3-4-5-9-20-17(19)21-10-8-13-12-22-16-7-6-14(18)11-15(13)16/h6-7,11-12,22H,2-5,8-10H2,1H3,(H3,19,20,21).
What are the key properties of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine?
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine has a molecular weight of 304.41 g/mol, XLogP of 3.33, 8 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine is sourced from PubChem (CID 111802162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).