2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine

C15H33N3O2 — CID 111035798

IUPAC2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine
SMILESCCCCCCCCN/C(N)=N/CCCOCCOC
InChIInChI=1S/C15H33N3O2/c1-3-4-5-6-7-8-10-17-15(16)18-11-9-12-20-14-13-19-2/h3-14H2,1-2H3,(H3,16,17,18)
InChIKeyDKRCCOZZPGLJKF-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.30
Rot. Bonds14

About 2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine

2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine (PubChem CID 111035798) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine
PubChem CID111035798
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC Name2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine
SMILESCCCCCCCCN/C(N)=N/CCCOCCOC
InChIInChI=1S/C15H33N3O2/c1-3-4-5-6-7-8-10-17-15(16)18-11-9-12-20-14-13-19-2/h3-14H2,1-2H3,(H3,16,17,18)
InChIKeyDKRCCOZZPGLJKF-UHFFFAOYSA-N
XLogP2.30
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.30
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'}

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Related Compounds

2-(5-methoxypentyl)-1-octylguanidine
CID 111087564
2-[3-(2-hydroxyethoxy)propyl]-1-octylguanidine;hydroiodide
CID 110018593
2-(3-butoxypropyl)-1-butylguanidine
CID 111025789
1,2-bis(3-butoxypropyl)guanidine
CID 23104027
1-(3-ethoxypropyl)-2-(3-octoxypropyl)guanidine
CID 111084645
1-(4-ethoxybutyl)-2-hexylguanidine
CID 111059587
1-octyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111057677
1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111066563
1-hexyl-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018541
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
2-(3-cyclohexyloxypropyl)-1-hexylguanidine;hydroiodide
CID 111035473
2-(3-hydroxypropyl)-1-octylguanidine;hydroiodide
CID 111023661

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine?
The IUPAC name of 2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine (CID 111035798) is 2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine is CCCCCCCCN/C(N)=N/CCCOCCOC.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine?
The InChIKey is DKRCCOZZPGLJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-3-4-5-6-7-8-10-17-15(16)18-11-9-12-20-14-13-19-2/h3-14H2,1-2H3,(H3,16,17,18).
What are the key properties of 2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine?
2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine has a molecular weight of 287.45 g/mol, XLogP of 2.30, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propyl]-1-octylguanidine is sourced from PubChem (CID 111035798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).