1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide

C15H24IN3 — CID 111822782

IUPAC1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1/N=C(\N)Nc1ccc(CC)cc1.I
InChIInChI=1S/C15H23N3.HI/c1-3-5-12-10-14(12)18-15(16)17-13-8-6-11(4-2)7-9-13;/h6-9,12,14H,3-5,10H2,1-2H3,(H3,16,17,18);1H
InChIKeyUDHZEFYNRRRIFK-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.78
Rot. Bonds5

About 1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide

1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide (PubChem CID 111822782) has the molecular formula C15H24IN3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide
PubChem CID111822782
Molecular FormulaC15H24IN3
Molecular Weight373.28 g/mol
Exact Mass373.10
IUPAC Name1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1/N=C(\N)Nc1ccc(CC)cc1.I
InChIInChI=1S/C15H23N3.HI/c1-3-5-12-10-14(12)18-15(16)17-13-8-6-11(4-2)7-9-13;/h6-9,12,14H,3-5,10H2,1-2H3,(H3,16,17,18);1H
InChIKeyUDHZEFYNRRRIFK-UHFFFAOYSA-N
XLogP3.78
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.78
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine
CID 111822761
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(4-ethylphenyl)guanidine
CID 120666058
1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine;hydroiodide
CID 120973982
1-(4-ethylphenyl)-2-(2-methylcyclobutyl)guanidine
CID 120973983
1-(4-ethylphenyl)-2-(3-hydroxycyclobutyl)guanidine
CID 122098269
1-(2-methoxyphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111822800
2-cyclobutyl-1-(4-ethylphenyl)guanidine
CID 119146745
2-(2,2-dimethylcyclopropyl)-1-(4-ethylphenyl)guanidine
CID 119120242
1-(3-ethylphenyl)-2-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111069217
1-(4-butylphenyl)-2-cyclopropylguanidine
CID 62378914
2-[(1R,2R)-2-ethylcyclopropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 120671972
2-(3-ethoxyspiro[3.3]heptan-1-yl)-1-(4-ethylphenyl)guanidine
CID 111819858

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide (CID 111822782) is 1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide is CCCC1CC1/N=C(\N)Nc1ccc(CC)cc1.I.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide?
The InChIKey is UDHZEFYNRRRIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3.HI/c1-3-5-12-10-14(12)18-15(16)17-13-8-6-11(4-2)7-9-13;/h6-9,12,14H,3-5,10H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide?
1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide has a molecular weight of 373.28 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-propylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 111822782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).