1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide

C20H25IN4 — CID 111806445

IUPAC1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CCCc2c[nH]c3ccccc23)cc1.I
InChIInChI=1S/C20H24N4.HI/c1-2-15-9-11-17(12-10-15)24-20(21)22-13-5-6-16-14-23-19-8-4-3-7-18(16)19;/h3-4,7-12,14,23H,2,5-6,13H2,1H3,(H3,21,22,24);1H
InChIKeyULPZIHIXCCYQMI-UHFFFAOYSA-N
MW448.35 g/mol
LogP4.71
Rot. Bonds6

About 1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide

1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide (PubChem CID 111806445) has the molecular formula C20H25IN4 and a molecular weight of 448.35 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
PubChem CID111806445
Molecular FormulaC20H25IN4
Molecular Weight448.35 g/mol
Exact Mass448.11
IUPAC Name1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CCCc2c[nH]c3ccccc23)cc1.I
InChIInChI=1S/C20H24N4.HI/c1-2-15-9-11-17(12-10-15)24-20(21)22-13-5-6-16-14-23-19-8-4-3-7-18(16)19;/h3-4,7-12,14,23H,2,5-6,13H2,1H3,(H3,21,22,24);1H
InChIKeyULPZIHIXCCYQMI-UHFFFAOYSA-N
XLogP4.71
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024620
2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
CID 111806458
1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806426
1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024605
1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806494
2-[4-(1H-indol-3-yl)butyl]-1-[4-(1H-indol-3-yl)butylideneamino]guanidine
CID 69151289
2-[3-(1H-indol-3-yl)propyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 111108916
1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 7962474
2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111024578
[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665948
1-cyclohexyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806478
1-(3-ethylphenyl)-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111802087

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide (CID 111806445) is 1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide is CCc1ccc(N/C(N)=N/CCCc2c[nH]c3ccccc23)cc1.I.
What is the InChIKey of 1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide?
The InChIKey is ULPZIHIXCCYQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4.HI/c1-2-15-9-11-17(12-10-15)24-20(21)22-13-5-6-16-14-23-19-8-4-3-7-18(16)19;/h3-4,7-12,14,23H,2,5-6,13H2,1H3,(H3,21,22,24);1H.
What are the key properties of 1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide?
1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide has a molecular weight of 448.35 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111806445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).