1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine

C20H30N4O — CID 111979481

IUPAC1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
SMILESCCN/C(=N\CCCc1c[nH]c2ccccc12)NC1CCC(O)CC1
InChIInChI=1S/C20H30N4O/c1-2-21-20(24-16-9-11-17(25)12-10-16)22-13-5-6-15-14-23-19-8-4-3-7-18(15)19/h3-4,7-8,14,16-17,23,25H,2,5-6,9-13H2,1H3,(H2,21,22,24)
InChIKeyGEENBCQGLPTEIS-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.96
Rot. Bonds6

About 1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine

1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine (PubChem CID 111979481) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
PubChem CID111979481
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
SMILESCCN/C(=N\CCCc1c[nH]c2ccccc12)NC1CCC(O)CC1
InChIInChI=1S/C20H30N4O/c1-2-21-20(24-16-9-11-17(25)12-10-16)22-13-5-6-15-14-23-19-8-4-3-7-18(15)19/h3-4,7-8,14,16-17,23,25H,2,5-6,9-13H2,1H3,(H2,21,22,24)
InChIKeyGEENBCQGLPTEIS-UHFFFAOYSA-N
XLogP2.96
TPSA72.44 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.96
H-Bond Donors ≤ 54
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-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110990949
1-(1-butylpiperidin-4-yl)-3-ethyl-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
CID 111984660
N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide
CID 111985074
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-2-[3-(1H-indol-3-yl)propyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
CID 111984261
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 109440287
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-ethyl-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
CID 111989460
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111190424
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111190423
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111918736
1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806478

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine?
The IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine (CID 111979481) is 1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine?
The canonical SMILES for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine is CCN/C(=N\CCCc1c[nH]c2ccccc12)NC1CCC(O)CC1.
What is the InChIKey of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine?
The InChIKey is GEENBCQGLPTEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-2-21-20(24-16-9-11-17(25)12-10-16)22-13-5-6-15-14-23-19-8-4-3-7-18(15)19/h3-4,7-8,14,16-17,23,25H,2,5-6,9-13H2,1H3,(H2,21,22,24).
What are the key properties of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine?
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine has a molecular weight of 342.49 g/mol, XLogP of 2.96, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine is sourced from PubChem (CID 111979481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).