2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine

C18H29N3O — CID 111773586

IUPAC2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
SMILESCCN/C(=N\CCCOCC)NC1CC1c1ccccc1C
InChIInChI=1S/C18H29N3O/c1-4-19-18(20-11-8-12-22-5-2)21-17-13-16(17)15-10-7-6-9-14(15)3/h6-7,9-10,16-17H,4-5,8,11-13H2,1-3H3,(H2,19,20,21)
InChIKeyVMNVOFVJXWKGHM-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.83
Rot. Bonds8

About 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine

2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine (PubChem CID 111773586) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
PubChem CID111773586
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
SMILESCCN/C(=N\CCCOCC)NC1CC1c1ccccc1C
InChIInChI=1S/C18H29N3O/c1-4-19-18(20-11-8-12-22-5-2)21-17-13-16(17)15-10-7-6-9-14(15)3/h6-7,9-10,16-17H,4-5,8,11-13H2,1-3H3,(H2,19,20,21)
InChIKeyVMNVOFVJXWKGHM-UHFFFAOYSA-N
XLogP2.83
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.83
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 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]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-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111776660
2-(4-ethoxybutyl)-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111946038
2-(2-ethoxyethyl)-1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111896762
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111405667
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine
CID 110976217
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111648061
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 109431887
2-(3-ethoxypropyl)-1-ethyl-3-(2-propylcyclopropyl)guanidine
CID 111713489
2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111152146
1-[2-(4-bromophenyl)cyclopropyl]-2-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111894878
1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111771151
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-methylphenoxy)ethyl]guanidine
CID 111963329

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The IUPAC name of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine (CID 111773586) is 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The canonical SMILES for 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine is CCN/C(=N\CCCOCC)NC1CC1c1ccccc1C.
What is the InChIKey of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
The InChIKey is VMNVOFVJXWKGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-19-18(20-11-8-12-22-5-2)21-17-13-16(17)15-10-7-6-9-14(15)3/h6-7,9-10,16-17H,4-5,8,11-13H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine?
2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine has a molecular weight of 303.45 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine is sourced from PubChem (CID 111773586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).