1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine

C23H39N3O4 — CID 109478085

IUPAC1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\CC1(CCO)CCCCC1)NCCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C23H39N3O4/c1-5-24-22(26-17-23(12-14-27)10-7-6-8-11-23)25-13-9-19-20(29-3)15-18(28-2)16-21(19)30-4/h15-16,27H,5-14,17H2,1-4H3,(H2,24,25,26)
InChIKeyUGAIGXNVZQZOIX-UHFFFAOYSA-N
MW421.58 g/mol
LogP3.14
Rot. Bonds11

About 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine

1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine (PubChem CID 109478085) has the molecular formula C23H39N3O4 and a molecular weight of 421.58 g/mol. Its IUPAC name is 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
PubChem CID109478085
Molecular FormulaC23H39N3O4
Molecular Weight421.58 g/mol
Exact Mass421.29
IUPAC Name1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\CC1(CCO)CCCCC1)NCCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C23H39N3O4/c1-5-24-22(26-17-23(12-14-27)10-7-6-8-11-23)25-13-9-19-20(29-3)15-18(28-2)16-21(19)30-4/h15-16,27H,5-14,17H2,1-4H3,(H2,24,25,26)
InChIKeyUGAIGXNVZQZOIX-UHFFFAOYSA-N
XLogP3.14
TPSA84.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.58
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 109476845
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methoxyethyl)guanidine
CID 109477564
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-propylguanidine
CID 109477756
1-butyl-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109477971
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 109477588
N-[4-[2-[[N-ethyl-N'-[[1-(2-hydroxyethyl)cyclohexyl]methyl]carbamimidoyl]amino]ethyl]phenyl]acetamide
CID 109477949
1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-2-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 109476609
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 109477617
1-ethyl-2-(3,3,3-trifluoropropyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine
CID 109474675
1-(cyclopropylmethyl)-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109476862
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-(2-methylsulfonylethyl)guanidine
CID 109476563
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 109476802

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine (CID 109478085) is 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine is CCN/C(=N\CC1(CCO)CCCCC1)NCCc1c(OC)cc(OC)cc1OC.
What is the InChIKey of 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine?
The InChIKey is UGAIGXNVZQZOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O4/c1-5-24-22(26-17-23(12-14-27)10-7-6-8-11-23)25-13-9-19-20(29-3)15-18(28-2)16-21(19)30-4/h15-16,27H,5-14,17H2,1-4H3,(H2,24,25,26).
What are the key properties of 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine?
1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine has a molecular weight of 421.58 g/mol, XLogP of 3.14, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 109478085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).