1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine

C20H30FN5 — CID 111972988

IUPAC1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CC1CCN(CC)C1)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H30FN5/c1-3-22-20(25-12-15-8-10-26(4-2)14-15)23-9-7-16-13-24-19-6-5-17(21)11-18(16)19/h5-6,11,13,15,24H,3-4,7-10,12,14H2,1-2H3,(H2,22,23,25)
InChIKeyYHTJZTPKPMRLND-UHFFFAOYSA-N
MW359.49 g/mol
LogP2.75
Rot. Bonds7

About 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine

1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine (PubChem CID 111972988) has the molecular formula C20H30FN5 and a molecular weight of 359.49 g/mol. Its IUPAC name is 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
PubChem CID111972988
Molecular FormulaC20H30FN5
Molecular Weight359.49 g/mol
Exact Mass359.25
IUPAC Name1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CC1CCN(CC)C1)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H30FN5/c1-3-22-20(25-12-15-8-10-26(4-2)14-15)23-9-7-16-13-24-19-6-5-17(21)11-18(16)19/h5-6,11,13,15,24H,3-4,7-10,12,14H2,1-2H3,(H2,22,23,25)
InChIKeyYHTJZTPKPMRLND-UHFFFAOYSA-N
XLogP2.75
TPSA55.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111972392
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111972180
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111888599
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111972581
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111547773
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111972554
2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111973052
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111989106
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111888842
1-[2-(4-ethylpiperazin-1-yl)ethyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111973165
2-[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-propylacetamide
CID 111972304
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111973266

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine (CID 111972988) is 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine is CCN/C(=N\CC1CCN(CC)C1)NCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine?
The InChIKey is YHTJZTPKPMRLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN5/c1-3-22-20(25-12-15-8-10-26(4-2)14-15)23-9-7-16-13-24-19-6-5-17(21)11-18(16)19/h5-6,11,13,15,24H,3-4,7-10,12,14H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine?
1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine has a molecular weight of 359.49 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 111972988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).