1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide

C17H23IN4 — CID 111802467

IUPAC1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
SMILESCCc1cccc(N/C(N)=N/CCc2ccc(C)nc2)c1.I
InChIInChI=1S/C17H22N4.HI/c1-3-14-5-4-6-16(11-14)21-17(18)19-10-9-15-8-7-13(2)20-12-15;/h4-8,11-12H,3,9-10H2,1-2H3,(H3,18,19,21);1H
InChIKeyZXAQXZIJYLQENA-UHFFFAOYSA-N
MW410.30 g/mol
LogP3.54
Rot. Bonds5

About 1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide

1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide (PubChem CID 111802467) has the molecular formula C17H23IN4 and a molecular weight of 410.30 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
PubChem CID111802467
Molecular FormulaC17H23IN4
Molecular Weight410.30 g/mol
Exact Mass410.10
IUPAC Name1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
SMILESCCc1cccc(N/C(N)=N/CCc2ccc(C)nc2)c1.I
InChIInChI=1S/C17H22N4.HI/c1-3-14-5-4-6-16(11-14)21-17(18)19-10-9-15-8-7-13(2)20-12-15;/h4-8,11-12H,3,9-10H2,1-2H3,(H3,18,19,21);1H
InChIKeyZXAQXZIJYLQENA-UHFFFAOYSA-N
XLogP3.54
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[2-(6-methyl-3-pyridinyl)ethyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111802501
1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 111035398
1-(3,4-dimethoxyphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine
CID 111802498
1-(3-ethylphenyl)-2-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 111031276
2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111090498
2-[(6-chloro-3-pyridinyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111041944
2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1-(3-ethylphenyl)guanidine
CID 111090499
1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
CID 111046944
1-(3-methylphenyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111022869
1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111043095
2-[2-(6-methyl-3-pyridinyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111802504
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine
CID 111802514

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide (CID 111802467) is 1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide is CCc1cccc(N/C(N)=N/CCc2ccc(C)nc2)c1.I.
What is the InChIKey of 1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide?
The InChIKey is ZXAQXZIJYLQENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4.HI/c1-3-14-5-4-6-16(11-14)21-17(18)19-10-9-15-8-7-13(2)20-12-15;/h4-8,11-12H,3,9-10H2,1-2H3,(H3,18,19,21);1H.
What are the key properties of 1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide?
1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide has a molecular weight of 410.30 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111802467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).