1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine

C20H35N3O — CID 111945201

IUPAC1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine
SMILESCCN/C(=N\CCCCCc1ccccc1)NCCCCOCC
InChIInChI=1S/C20H35N3O/c1-3-21-20(23-17-11-12-18-24-4-2)22-16-10-6-9-15-19-13-7-5-8-14-19/h5,7-8,13-14H,3-4,6,9-12,15-18H2,1-2H3,(H2,21,22,23)
InChIKeyKJRRJCQUMWLABY-UHFFFAOYSA-N
MW333.52 g/mol
LogP3.77
Rot. Bonds13

About 1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine

1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine (PubChem CID 111945201) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine.

Molecular Properties

Compound Name1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine
PubChem CID111945201
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC Name1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine
SMILESCCN/C(=N\CCCCCc1ccccc1)NCCCCOCC
InChIInChI=1S/C20H35N3O/c1-3-21-20(23-17-11-12-18-24-4-2)22-16-10-6-9-15-19-13-7-5-8-14-19/h5,7-8,13-14H,3-4,6,9-12,15-18H2,1-2H3,(H2,21,22,23)
InChIKeyKJRRJCQUMWLABY-UHFFFAOYSA-N
XLogP3.77
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)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-[4-(2-phenylethoxy)butyl]-2-propylguanidine
CID 111227861
2-[3-[benzyl(methyl)amino]propyl]-1-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 111945502
2-(4-ethoxybutyl)-1-ethyl-3-(2-phenoxyethyl)guanidine
CID 111005039
1-ethyl-3-(2-methoxyethyl)-2-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 110942179
1,3-diethyl-2-(4-phenylmethoxybutyl)guanidine
CID 110917028
1-ethyl-2-(3-phenylpropyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111199186
2-(4-ethoxybutyl)-1-ethyl-3-[2-(3-fluorophenyl)ethyl]guanidine;hydroiodide
CID 111395104
1-(2-ethoxyethyl)-2-methyl-3-(5-phenylpentyl)guanidine;hydroiodide
CID 111895474
2-(4-ethoxybutyl)-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896119
1-[3-[benzyl(methyl)amino]propyl]-2-(3-ethoxypropyl)-3-ethylguanidine;hydroiodide
CID 111223998
1-[3-[benzyl(methyl)amino]butyl]-2-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 111719691
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine
CID 111404809

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine?
The IUPAC name of 1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine (CID 111945201) is 1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine.
What is the SMILES notation for 1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine?
The canonical SMILES for 1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine is CCN/C(=N\CCCCCc1ccccc1)NCCCCOCC.
What is the InChIKey of 1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine?
The InChIKey is KJRRJCQUMWLABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O/c1-3-21-20(23-17-11-12-18-24-4-2)22-16-10-6-9-15-19-13-7-5-8-14-19/h5,7-8,13-14H,3-4,6,9-12,15-18H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine?
1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine has a molecular weight of 333.52 g/mol, XLogP of 3.77, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxybutyl)-3-ethyl-2-(5-phenylpentyl)guanidine is sourced from PubChem (CID 111945201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).