1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine

C15H23N3 — CID 111822761

IUPAC1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1/N=C(\N)Nc1cccc(CC)c1
InChIInChI=1S/C15H23N3/c1-3-6-12-10-14(12)18-15(16)17-13-8-5-7-11(4-2)9-13/h5,7-9,12,14H,3-4,6,10H2,1-2H3,(H3,16,17,18)
InChIKeyJSWLYTVTOMUOMC-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.16
Rot. Bonds5

About 1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine

1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine (PubChem CID 111822761) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine
PubChem CID111822761
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine
SMILESCCCC1CC1/N=C(\N)Nc1cccc(CC)c1
InChIInChI=1S/C15H23N3/c1-3-6-12-10-14(12)18-15(16)17-13-8-5-7-11(4-2)9-13/h5,7-9,12,14H,3-4,6,10H2,1-2H3,(H3,16,17,18)
InChIKeyJSWLYTVTOMUOMC-UHFFFAOYSA-N
XLogP3.16
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-ethylphenyl)-2-(2-propylcyclopropyl)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-(3-ethylphenyl)-2-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111069217
1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111822782
1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine
CID 122098888
1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine
CID 111101053
2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 120671972
1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120662966
1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111822800
2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine
CID 119119381
1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111810551
trans-(1S,2R)-N-(3-ethylphenyl)-2-octylcyclopropane-1-carboxamide
CID 98156017
1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine
CID 18622151
3-ethyl-N-prop-1-en-2-ylaniline
CID 143032511

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine?
The IUPAC name of 1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine (CID 111822761) is 1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine?
The canonical SMILES for 1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine is CCCC1CC1/N=C(\N)Nc1cccc(CC)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine?
The InChIKey is JSWLYTVTOMUOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-6-12-10-14(12)18-15(16)17-13-8-5-7-11(4-2)9-13/h5,7-9,12,14H,3-4,6,10H2,1-2H3,(H3,16,17,18).
What are the key properties of 1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine?
1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine has a molecular weight of 245.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine is sourced from PubChem (CID 111822761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).