1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide

C19H35IN4O2 — CID 111212242

IUPAC1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide
SMILESCCCCCCC(C)N/C(=N\C)NCc1ccc(OCCOC)nc1.I
InChIInChI=1S/C19H34N4O2.HI/c1-5-6-7-8-9-16(2)23-19(20-3)22-15-17-10-11-18(21-14-17)25-13-12-24-4;/h10-11,14,16H,5-9,12-13,15H2,1-4H3,(H2,20,22,23);1H
InChIKeyYXBSPOLUPNGRNV-UHFFFAOYSA-N
MW478.42 g/mol
LogP3.75
Rot. Bonds12

About 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide

1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide (PubChem CID 111212242) has the molecular formula C19H35IN4O2 and a molecular weight of 478.42 g/mol. Its IUPAC name is 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide
PubChem CID111212242
Molecular FormulaC19H35IN4O2
Molecular Weight478.42 g/mol
Exact Mass478.18
IUPAC Name1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide
SMILESCCCCCCC(C)N/C(=N\C)NCc1ccc(OCCOC)nc1.I
InChIInChI=1S/C19H34N4O2.HI/c1-5-6-7-8-9-16(2)23-19(20-3)22-15-17-10-11-18(21-14-17)25-13-12-24-4;/h10-11,14,16H,5-9,12-13,15H2,1-4H3,(H2,20,22,23);1H
InChIKeyYXBSPOLUPNGRNV-UHFFFAOYSA-N
XLogP3.75
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hexyl-3-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111161926
1-(1-methoxypropan-2-yl)-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111836694
1-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methyl-3-octan-2-ylguanidine
CID 111212953
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111840158
1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627633
6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine
CID 43688384
1-[(4-fluorophenyl)methyl]-3-heptan-2-yl-2-methylguanidine;hydroiodide
CID 111194837
1-benzyl-3-heptan-2-yl-2-methylguanidine;hydroiodide
CID 111195191
1-hexyl-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 111161885
1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111171081
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-heptan-2-yl-2-methylguanidine;hydroiodide
CID 111195057
1-cyclohexyl-3-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 110957494

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide?
The IUPAC name of 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide (CID 111212242) is 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide?
The canonical SMILES for 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide is CCCCCCC(C)N/C(=N\C)NCc1ccc(OCCOC)nc1.I.
What is the InChIKey of 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide?
The InChIKey is YXBSPOLUPNGRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.HI/c1-5-6-7-8-9-16(2)23-19(20-3)22-15-17-10-11-18(21-14-17)25-13-12-24-4;/h10-11,14,16H,5-9,12-13,15H2,1-4H3,(H2,20,22,23);1H.
What are the key properties of 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide?
1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide has a molecular weight of 478.42 g/mol, XLogP of 3.75, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111212242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).