1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine

C15H23N3 — CID 122098888

IUPAC1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine
SMILESCCc1cccc(N/C(N)=N/[C@@H]2C[C@H]2C(C)C)c1
InChIInChI=1S/C15H23N3/c1-4-11-6-5-7-12(8-11)17-15(16)18-14-9-13(14)10(2)3/h5-8,10,13-14H,4,9H2,1-3H3,(H3,16,17,18)/t13-,14+/m0/s1
InChIKeyPBRAMBAYNAAPAD-UONOGXRCSA-N
MW245.37 g/mol
LogP3.02
Rot. Bonds4

About 1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine

1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine (PubChem CID 122098888) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine
PubChem CID122098888
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine
SMILESCCc1cccc(N/C(N)=N/[C@@H]2C[C@H]2C(C)C)c1
InChIInChI=1S/C15H23N3/c1-4-11-6-5-7-12(8-11)17-15(16)18-14-9-13(14)10(2)3/h5-8,10,13-14H,4,9H2,1-3H3,(H3,16,17,18)/t13-,14+/m0/s1
InChIKeyPBRAMBAYNAAPAD-UONOGXRCSA-N
XLogP3.02
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.02
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-[(1R,2S)-2-propan-2-ylcyclopropyl]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-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine
CID 111822761
1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine
CID 111101053
1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120662966
2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 120671972
2-(2-methylcyclopropyl)-1-(3-methylphenyl)guanidine
CID 119119381
1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine
CID 78965901
1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine
CID 18622151
1-(3-ethylanilino)ethanol
CID 174601913
1-(3-ethylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086038
1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111810551
1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 111035398

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine?
The IUPAC name of 1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine (CID 122098888) is 1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine?
The canonical SMILES for 1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine is CCc1cccc(N/C(N)=N/[C@@H]2C[C@H]2C(C)C)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine?
The InChIKey is PBRAMBAYNAAPAD-UONOGXRCSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-11-6-5-7-12(8-11)17-15(16)18-14-9-13(14)10(2)3/h5-8,10,13-14H,4,9H2,1-3H3,(H3,16,17,18)/t13-,14+/m0/s1.
What are the key properties of 1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine?
1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine has a molecular weight of 245.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine is sourced from PubChem (CID 122098888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).