1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine

C20H33N3O3 — CID 111946863

IUPAC1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine
SMILESC/N=C(\NCCCC1CCCC1)NCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C20H33N3O3/c1-21-20(22-13-7-10-15-8-5-6-9-15)23-14-16-11-12-17(24-2)19(26-4)18(16)25-3/h11-12,15H,5-10,13-14H2,1-4H3,(H2,21,22,23)
InChIKeyHVZVXVJJFQPQLV-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.35
Rot. Bonds9

About 1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine

1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine (PubChem CID 111946863) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine
PubChem CID111946863
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine
SMILESC/N=C(\NCCCC1CCCC1)NCc1ccc(OC)c(OC)c1OC
InChIInChI=1S/C20H33N3O3/c1-21-20(22-13-7-10-15-8-5-6-9-15)23-14-16-11-12-17(24-2)19(26-4)18(16)25-3/h11-12,15H,5-10,13-14H2,1-4H3,(H2,21,22,23)
InChIKeyHVZVXVJJFQPQLV-UHFFFAOYSA-N
XLogP3.35
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]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

2-methyl-1-[3-(oxan-4-ylmethoxy)propyl]-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine
CID 111644172
2-methyl-1-(4-methylpentyl)-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111943194
1-[3-(cyclopropylmethoxy)propyl]-3-[(2,3-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111392788
1-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111248240
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine
CID 111202214
1-[(2-ethylphenyl)methyl]-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111635723
1-(3-cyclopentylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 111946769
1-(3-cyclopropylpropyl)-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine
CID 111797456
1-(2-cycloheptyloxyethyl)-3-[(2,3-dimethoxyphenyl)methyl]-2-methylguanidine
CID 111576071
1-butyl-3-[(2,3-dimethoxyphenyl)methyl]-2-methylguanidine
CID 111151408
2-methyl-1-[3-(1-phenylethoxy)propyl]-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111403234
1-(3-cyclopentylpropyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111257332

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine?
The IUPAC name of 1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine (CID 111946863) is 1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine?
The canonical SMILES for 1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine is C/N=C(\NCCCC1CCCC1)NCc1ccc(OC)c(OC)c1OC.
What is the InChIKey of 1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine?
The InChIKey is HVZVXVJJFQPQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-21-20(22-13-7-10-15-8-5-6-9-15)23-14-16-11-12-17(24-2)19(26-4)18(16)25-3/h11-12,15H,5-10,13-14H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine?
1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine has a molecular weight of 363.50 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine is sourced from PubChem (CID 111946863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).