1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine

C16H22N4O — CID 119117469

IUPAC1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine
SMILESN/C(=N\CCC1C(=O)Nc2ccccc21)NC1CCCC1
InChIInChI=1S/C16H22N4O/c17-16(19-11-5-1-2-6-11)18-10-9-13-12-7-3-4-8-14(12)20-15(13)21/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H,20,21)(H3,17,18,19)
InChIKeyDWVGXBVKXCZJJE-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.96
Rot. Bonds4

About 1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine

1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine (PubChem CID 119117469) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine
PubChem CID119117469
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine
SMILESN/C(=N\CCC1C(=O)Nc2ccccc21)NC1CCCC1
InChIInChI=1S/C16H22N4O/c17-16(19-11-5-1-2-6-11)18-10-9-13-12-7-3-4-8-14(12)20-15(13)21/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H,20,21)(H3,17,18,19)
InChIKeyDWVGXBVKXCZJJE-UHFFFAOYSA-N
XLogP1.96
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.96
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

N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]morpholine-4-carboximidamide
CID 119117447
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]cyclohexanecarboxamide
CID 110730173
1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine
CID 119119816
N-cyclohexyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 4245545
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
N-ethyl-N'-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119130657
3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 589482
1-cyclopropyl-2-(2-phenoxyethyl)guanidine
CID 62361569
1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 78989923
1-cyclopropyl-2-(2-phenoxyethyl)guanidine;hydrobromide
CID 126812379
3-(2-oxo-1,3-dihydroindol-3-yl)propanal
CID 86190152
1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806478

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine (CID 119117469) is 1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine is N/C(=N\CCC1C(=O)Nc2ccccc21)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine?
The InChIKey is DWVGXBVKXCZJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-16(19-11-5-1-2-6-11)18-10-9-13-12-7-3-4-8-14(12)20-15(13)21/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H,20,21)(H3,17,18,19).
What are the key properties of 1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine?
1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine has a molecular weight of 286.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine is sourced from PubChem (CID 119117469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).