1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine

C18H26N4 — CID 110990949

IUPAC1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1c[nH]c2ccccc12)NC1CCCC1
InChIInChI=1S/C18H26N4/c1-2-19-18(22-15-7-3-4-8-15)20-12-11-14-13-21-17-10-6-5-9-16(14)17/h5-6,9-10,13,15,21H,2-4,7-8,11-12H2,1H3,(H2,19,20,22)
InChIKeyNUTCJJMSIFTRRT-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.21
Rot. Bonds5

About 1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine

1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine (PubChem CID 110990949) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
PubChem CID110990949
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1c[nH]c2ccccc12)NC1CCCC1
InChIInChI=1S/C18H26N4/c1-2-19-18(22-15-7-3-4-8-15)20-12-11-14-13-21-17-10-6-5-9-16(14)17/h5-6,9-10,13,15,21H,2-4,7-8,11-12H2,1H3,(H2,19,20,22)
InChIKeyNUTCJJMSIFTRRT-UHFFFAOYSA-N
XLogP3.21
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111918736
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111979481
N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide
CID 111985074
1-(1-butylpiperidin-4-yl)-3-ethyl-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
CID 111984660
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 109440287
1-ethyl-2-[3-(1H-indol-3-yl)propyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
CID 111984261
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110995873
1-ethyl-2-[3-(1H-indol-3-yl)propyl]-3-(6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 111984624
2-[4-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]piperidin-1-yl]-N-methylacetamide;hydroiodide
CID 111984330
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111190424
1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 110996306
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111190423

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine (CID 110990949) is 1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine is CCN/C(=N\CCc1c[nH]c2ccccc12)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The InChIKey is NUTCJJMSIFTRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-2-19-18(22-15-7-3-4-8-15)20-12-11-14-13-21-17-10-6-5-9-16(14)17/h5-6,9-10,13,15,21H,2-4,7-8,11-12H2,1H3,(H2,19,20,22).
What are the key properties of 1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine?
1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine has a molecular weight of 298.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 110990949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).