2-(5-methoxypentyl)-1-octylguanidine

C15H33N3O — CID 111087564

IUPAC2-(5-methoxypentyl)-1-octylguanidine
SMILESCCCCCCCCN/C(N)=N/CCCCCOC
InChIInChI=1S/C15H33N3O/c1-3-4-5-6-7-9-12-17-15(16)18-13-10-8-11-14-19-2/h3-14H2,1-2H3,(H3,16,17,18)
InChIKeyHLNNPSNWKUGAHN-UHFFFAOYSA-N
MW271.45 g/mol
LogP3.07
Rot. Bonds13

About 2-(5-methoxypentyl)-1-octylguanidine

2-(5-methoxypentyl)-1-octylguanidine (PubChem CID 111087564) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-(5-methoxypentyl)-1-octylguanidine.

Molecular Properties

Compound Name2-(5-methoxypentyl)-1-octylguanidine
PubChem CID111087564
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name2-(5-methoxypentyl)-1-octylguanidine
SMILESCCCCCCCCN/C(N)=N/CCCCCOC
InChIInChI=1S/C15H33N3O/c1-3-4-5-6-7-9-12-17-15(16)18-13-10-8-11-14-19-2/h3-14H2,1-2H3,(H3,16,17,18)
InChIKeyHLNNPSNWKUGAHN-UHFFFAOYSA-N
XLogP3.07
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine
CID 111035798
1-(4-ethoxybutyl)-2-hexylguanidine
CID 111059587
1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111066563
2-(5-methoxypentyl)-1-(3-methylbutyl)guanidine
CID 111087551
1-(3-ethoxypropyl)-2-(3-octoxypropyl)guanidine
CID 111084645
2-(3-hydroxypropyl)-1-octylguanidine;hydroiodide
CID 111023661
1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide
CID 111045515
2-[3-(2-hydroxyethoxy)propyl]-1-octylguanidine;hydroiodide
CID 110018593
1-hexyl-2-(6-methylsulfanylhexyl)guanidine;hydroiodide
CID 110032081
1,2,3-tris(5-methoxypentyl)guanidine
CID 102441761
2-hexyl-1-(2-propan-2-yloxyethyl)guanidine;hydroiodide
CID 110032724
methyl 3-[(N'-octylcarbamimidoyl)amino]propanoate;hydroiodide
CID 111063886

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxypentyl)-1-octylguanidine?
The IUPAC name of 2-(5-methoxypentyl)-1-octylguanidine (CID 111087564) is 2-(5-methoxypentyl)-1-octylguanidine.
What is the SMILES notation for 2-(5-methoxypentyl)-1-octylguanidine?
The canonical SMILES for 2-(5-methoxypentyl)-1-octylguanidine is CCCCCCCCN/C(N)=N/CCCCCOC.
What is the InChIKey of 2-(5-methoxypentyl)-1-octylguanidine?
The InChIKey is HLNNPSNWKUGAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-3-4-5-6-7-9-12-17-15(16)18-13-10-8-11-14-19-2/h3-14H2,1-2H3,(H3,16,17,18).
What are the key properties of 2-(5-methoxypentyl)-1-octylguanidine?
2-(5-methoxypentyl)-1-octylguanidine has a molecular weight of 271.45 g/mol, XLogP of 3.07, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxypentyl)-1-octylguanidine is sourced from PubChem (CID 111087564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).