1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide

C15H26IN3O2 — CID 111035813

IUPAC1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CCCOCCOC)cc1.I
InChIInChI=1S/C15H25N3O2.HI/c1-3-13-5-7-14(8-6-13)18-15(16)17-9-4-10-20-12-11-19-2;/h5-8H,3-4,9-12H2,1-2H3,(H3,16,17,18);1H
InChIKeyYLCNKNRTYZSDAC-UHFFFAOYSA-N
MW407.30 g/mol
LogP2.65
Rot. Bonds9

About 1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide

1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide (PubChem CID 111035813) has the molecular formula C15H26IN3O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
PubChem CID111035813
Molecular FormulaC15H26IN3O2
Molecular Weight407.30 g/mol
Exact Mass407.11
IUPAC Name1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
SMILESCCc1ccc(N/C(N)=N/CCCOCCOC)cc1.I
InChIInChI=1S/C15H25N3O2.HI/c1-3-13-5-7-14(8-6-13)18-15(16)17-9-4-10-20-12-11-19-2;/h5-8H,3-4,9-12H2,1-2H3,(H3,16,17,18);1H
InChIKeyYLCNKNRTYZSDAC-UHFFFAOYSA-N
XLogP2.65
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[2-(2-butoxyethoxy)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111821812
methyl 5-[[amino-(4-ethylanilino)methylidene]amino]pentanoate;hydroiodide
CID 111086128
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111035824
methyl 6-[[amino-(4-ethylanilino)methylidene]amino]hexanoate
CID 111029138
1-(4-ethylphenyl)-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111818498
1-(3-ethylphenyl)-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111069292
1-(3-ethylphenyl)-2-(3-methoxypropyl)guanidine
CID 111023612
1-(4-ethylphenyl)-2-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111819779
2-(3-ethoxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111025448
1-(3-ethylphenyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018549
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]acetamide;hydroiodide
CID 111027931
2-[7-(dimethylamino)heptyl]-1-(4-ethylphenyl)guanidine
CID 111084905

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide (CID 111035813) is 1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide is CCc1ccc(N/C(N)=N/CCCOCCOC)cc1.I.
What is the InChIKey of 1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide?
The InChIKey is YLCNKNRTYZSDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.HI/c1-3-13-5-7-14(8-6-13)18-15(16)17-9-4-10-20-12-11-19-2;/h5-8H,3-4,9-12H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide?
1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide has a molecular weight of 407.30 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111035813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).