1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine

C18H29N3O3 — CID 111962387

IUPAC1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ccc(OC)c(OC)c1OC)NC1CC1C
InChIInChI=1S/C18H29N3O3/c1-6-19-18(21-14-11-12(14)2)20-10-9-13-7-8-15(22-3)17(24-5)16(13)23-4/h7-8,12,14H,6,9-11H2,1-5H3,(H2,19,20,21)
InChIKeyWGPLISJSFFJWLQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.22
Rot. Bonds8

About 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine

1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine (PubChem CID 111962387) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
PubChem CID111962387
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ccc(OC)c(OC)c1OC)NC1CC1C
InChIInChI=1S/C18H29N3O3/c1-6-19-18(21-14-11-12(14)2)20-10-9-13-7-8-15(22-3)17(24-5)16(13)23-4/h7-8,12,14H,6,9-11H2,1-5H3,(H2,19,20,21)
InChIKeyWGPLISJSFFJWLQ-UHFFFAOYSA-N
XLogP2.22
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1,3-diethyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 110935047
1-cyclohexyl-3-ethyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 110957050
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111189157
1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111316253
1-ethyl-3-(1-propylpiperidin-4-yl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111016956
2-[3-(3,4-dimethoxyphenyl)propyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111961199
1-ethyl-3-(1-phenylpyrrolidin-3-yl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 111908881
1-ethyl-3-(2-phenoxyethyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 111004677
1-ethyl-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 111589309
1-cyclopentyl-3-ethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 110989872
1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine
CID 111713694
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111396202

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine (CID 111962387) is 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine is CCN/C(=N\CCc1ccc(OC)c(OC)c1OC)NC1CC1C.
What is the InChIKey of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine?
The InChIKey is WGPLISJSFFJWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-6-19-18(21-14-11-12(14)2)20-10-9-13-7-8-15(22-3)17(24-5)16(13)23-4/h7-8,12,14H,6,9-11H2,1-5H3,(H2,19,20,21).
What are the key properties of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine?
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine has a molecular weight of 335.45 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 111962387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).