1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine

C22H34N4O — CID 109476802

IUPAC1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CC1(CCO)CCCCC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H34N4O/c1-2-23-21(26-17-22(13-15-27)11-6-3-7-12-22)24-14-10-18-16-25-20-9-5-4-8-19(18)20/h4-5,8-9,16,25,27H,2-3,6-7,10-15,17H2,1H3,(H2,23,24,26)
InChIKeyDIIZLRPWJJCMFY-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.60
Rot. Bonds8

About 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine

1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine (PubChem CID 109476802) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
PubChem CID109476802
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CC1(CCO)CCCCC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H34N4O/c1-2-23-21(26-17-22(13-15-27)11-6-3-7-12-22)24-14-10-18-16-25-20-9-5-4-8-19(18)20/h4-5,8-9,16,25,27H,2-3,6-7,10-15,17H2,1H3,(H2,23,24,26)
InChIKeyDIIZLRPWJJCMFY-UHFFFAOYSA-N
XLogP3.60
TPSA72.44 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.60
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-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(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-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine
CID 110996369
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110996204
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-propylguanidine
CID 109477756
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109477065
1-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111714762
2-(2-ethoxyethyl)-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110997457
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 109476845
N-[2-[[N-ethyl-N'-[[1-(2-hydroxyethyl)cyclohexyl]methyl]carbamimidoyl]amino]ethyl]-2-fluorobenzamide
CID 109476892
1-butyl-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109477971
N-[4-[2-[[N-ethyl-N'-[[1-(2-hydroxyethyl)cyclohexyl]methyl]carbamimidoyl]amino]ethyl]phenyl]acetamide
CID 109477949
1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 110996306
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 109477404

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine (CID 109476802) is 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine is CCN/C(=N\CC1(CCO)CCCCC1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine?
The InChIKey is DIIZLRPWJJCMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-2-23-21(26-17-22(13-15-27)11-6-3-7-12-22)24-14-10-18-16-25-20-9-5-4-8-19(18)20/h4-5,8-9,16,25,27H,2-3,6-7,10-15,17H2,1H3,(H2,23,24,26).
What are the key properties of 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine?
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine has a molecular weight of 370.54 g/mol, XLogP of 3.60, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 109476802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).