1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine

C19H31N3O3 — CID 111761201

IUPAC1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine
SMILESCCN/C(=N\CC1(C)CCCC1)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H31N3O3/c1-6-20-18(21-13-19(2)9-7-8-10-19)22-14-11-15(23-3)17(25-5)16(12-14)24-4/h11-12H,6-10,13H2,1-5H3,(H2,20,21,22)
InChIKeyDADNGRBCEUOTJL-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.67
Rot. Bonds7

About 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine

1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine (PubChem CID 111761201) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine
PubChem CID111761201
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine
SMILESCCN/C(=N\CC1(C)CCCC1)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H31N3O3/c1-6-20-18(21-13-19(2)9-7-8-10-19)22-14-11-15(23-3)17(25-5)16(12-14)24-4/h11-12H,6-10,13H2,1-5H3,(H2,20,21,22)
InChIKeyDADNGRBCEUOTJL-UHFFFAOYSA-N
XLogP3.67
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.67
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-ethyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111792462
1-ethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine
CID 111792575
1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-(3,4,5-trimethoxyphenyl)guanidine
CID 111792565
2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111781183
2-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-1-ethyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111792482
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-ethyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111827808
N,N-dimethyl-1-[[[N'-methyl-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111827834
1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)guanidine;hydroiodide
CID 111761958
3-[2-[[ethylamino-(3,4,5-trimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide
CID 111772476
2-ethyl-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 109401228
3-[2-[[ethylamino-(3,4,5-trimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111772475
1-amino-2-butyl-3-(3,4,5-trimethoxyphenyl)guanidine
CID 116511680

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine?
The IUPAC name of 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine (CID 111761201) is 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine is CCN/C(=N\CC1(C)CCCC1)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine?
The InChIKey is DADNGRBCEUOTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-6-20-18(21-13-19(2)9-7-8-10-19)22-14-11-15(23-3)17(25-5)16(12-14)24-4/h11-12H,6-10,13H2,1-5H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine?
1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine has a molecular weight of 349.48 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(3,4,5-trimethoxyphenyl)guanidine is sourced from PubChem (CID 111761201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).