1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine

C15H33N3O3 — CID 111240887

IUPAC1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
SMILESCCCCOCCCN/C(=N\C)NCCCOCCOC
InChIInChI=1S/C15H33N3O3/c1-4-5-10-20-11-6-8-17-15(16-2)18-9-7-12-21-14-13-19-3/h4-14H2,1-3H3,(H2,16,17,18)
InChIKeyXHZFZWIDRWPQEC-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.41
Rot. Bonds14

About 1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine

1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine (PubChem CID 111240887) has the molecular formula C15H33N3O3 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
PubChem CID111240887
Molecular FormulaC15H33N3O3
Molecular Weight303.45 g/mol
Exact Mass303.25
IUPAC Name1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
SMILESCCCCOCCCN/C(=N\C)NCCCOCCOC
InChIInChI=1S/C15H33N3O3/c1-4-5-10-20-11-6-8-17-15(16-2)18-9-7-12-21-14-13-19-3/h4-14H2,1-3H3,(H2,16,17,18)
InChIKeyXHZFZWIDRWPQEC-UHFFFAOYSA-N
XLogP1.41
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.41
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'}

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Related Compounds

1-butyl-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111150615
1-hexyl-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111161256
1-[3-(2-methoxyethoxy)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942314
1-[2-(2-methoxyethoxy)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405155
1-[2-(2-butoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111491655
1-[2-(2-butoxyethoxy)ethyl]-3-(3-butoxypropyl)-2-methylguanidine;hydroiodide
CID 111499418
1-(4-ethoxybutyl)-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
CID 111946295
1-(3-butoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine
CID 111238765
1-(3-butoxypropyl)-3-(2-ethoxyethyl)-2-methylguanidine
CID 111239303
1-(3-butoxypropyl)-2,3-dimethylguanidine
CID 110914191
1-[2-(diethylamino)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111406484
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111787228

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine?
The IUPAC name of 1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine (CID 111240887) is 1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine.
What is the SMILES notation for 1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine?
The canonical SMILES for 1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine is CCCCOCCCN/C(=N\C)NCCCOCCOC.
What is the InChIKey of 1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine?
The InChIKey is XHZFZWIDRWPQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O3/c1-4-5-10-20-11-6-8-17-15(16-2)18-9-7-12-21-14-13-19-3/h4-14H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine?
1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine has a molecular weight of 303.45 g/mol, XLogP of 1.41, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine is sourced from PubChem (CID 111240887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).