1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide

C19H24IN3 — CID 111038829

IUPAC1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
SMILESCCc1cccc(N/C(N)=N/CC2(c3ccccc3)CC2)c1.I
InChIInChI=1S/C19H23N3.HI/c1-2-15-7-6-10-17(13-15)22-18(20)21-14-19(11-12-19)16-8-4-3-5-9-16;/h3-10,13H,2,11-12,14H2,1H3,(H3,20,21,22);1H
InChIKeyQOSGWTRVWAWJJV-UHFFFAOYSA-N
MW421.33 g/mol
LogP4.33
Rot. Bonds5

About 1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide

1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide (PubChem CID 111038829) has the molecular formula C19H24IN3 and a molecular weight of 421.33 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
PubChem CID111038829
Molecular FormulaC19H24IN3
Molecular Weight421.33 g/mol
Exact Mass421.10
IUPAC Name1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
SMILESCCc1cccc(N/C(N)=N/CC2(c3ccccc3)CC2)c1.I
InChIInChI=1S/C19H23N3.HI/c1-2-15-7-6-10-17(13-15)22-18(20)21-14-19(11-12-19)16-8-4-3-5-9-16;/h3-10,13H,2,11-12,14H2,1H3,(H3,20,21,22);1H
InChIKeyQOSGWTRVWAWJJV-UHFFFAOYSA-N
XLogP4.33
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 54.33
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-[(1-hydroxycyclobutyl)methyl]guanidine;hydroiodide
CID 111801667
1-(3-ethylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 111088645
2-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111068097
2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 110033238
1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111810551
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111818335
2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 119148133
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111071233
1-(3-chloro-4-methoxyphenyl)-2-[(1-phenylcyclobutyl)methyl]guanidine
CID 111038681
2-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111068051
1-(3-ethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045961
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090960

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide (CID 111038829) is 1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide is CCc1cccc(N/C(N)=N/CC2(c3ccccc3)CC2)c1.I.
What is the InChIKey of 1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The InChIKey is QOSGWTRVWAWJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3.HI/c1-2-15-7-6-10-17(13-15)22-18(20)21-14-19(11-12-19)16-8-4-3-5-9-16;/h3-10,13H,2,11-12,14H2,1H3,(H3,20,21,22);1H.
What are the key properties of 1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide?
1-(3-ethylphenyl)-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide has a molecular weight of 421.33 g/mol, XLogP of 4.33, 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-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111038829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).