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

C20H30N4O — CID 111190424

IUPAC1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1c[nH]c2cccc(C)c12)NC1CCC(O)CC1
InChIInChI=1S/C20H30N4O/c1-3-21-20(24-16-7-9-17(25)10-8-16)22-12-11-15-13-23-18-6-4-5-14(2)19(15)18/h4-6,13,16-17,23,25H,3,7-12H2,1-2H3,(H2,21,22,24)
InChIKeyOAXAOYRILMLDKB-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.88
Rot. Bonds5

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

1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine (PubChem CID 111190424) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
PubChem CID111190424
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1c[nH]c2cccc(C)c12)NC1CCC(O)CC1
InChIInChI=1S/C20H30N4O/c1-3-21-20(24-16-7-9-17(25)10-8-16)22-12-11-15-13-23-18-6-4-5-14(2)19(15)18/h4-6,13,16-17,23,25H,3,7-12H2,1-2H3,(H2,21,22,24)
InChIKeyOAXAOYRILMLDKB-UHFFFAOYSA-N
XLogP2.88
TPSA72.44 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111190423
1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111100831
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111979481
1-cyclopentyl-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110990949
2-[2-(2,6-dimethylphenoxy)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190342
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111355594
4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111960334
1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-ylethyl)guanidine;hydroiodide
CID 110988159
1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111629471
1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111178735
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111189157
3-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111979444

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine (CID 111190424) is 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine is CCN/C(=N\CCc1c[nH]c2cccc(C)c12)NC1CCC(O)CC1.
What is the InChIKey of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine?
The InChIKey is OAXAOYRILMLDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-3-21-20(24-16-7-9-17(25)10-8-16)22-12-11-15-13-23-18-6-4-5-14(2)19(15)18/h4-6,13,16-17,23,25H,3,7-12H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine?
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine has a molecular weight of 342.49 g/mol, XLogP of 2.88, 5 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-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 111190424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).