1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine

C11H25N3OS — CID 111769721

IUPAC1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine
SMILESCCOCCCN/C(=N/C)NCCCSC
InChIInChI=1S/C11H25N3OS/c1-4-15-9-5-7-13-11(12-2)14-8-6-10-16-3/h4-10H2,1-3H3,(H2,12,13,14)
InChIKeyVZJZDLKKWVJRQZ-UHFFFAOYSA-N
MW247.41 g/mol
LogP1.33
Rot. Bonds9

About 1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine

1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine (PubChem CID 111769721) has the molecular formula C11H25N3OS and a molecular weight of 247.41 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine
PubChem CID111769721
Molecular FormulaC11H25N3OS
Molecular Weight247.41 g/mol
Exact Mass247.17
IUPAC Name1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine
SMILESCCOCCCN/C(=N/C)NCCCSC
InChIInChI=1S/C11H25N3OS/c1-4-15-9-5-7-13-11(12-2)14-8-6-10-16-3/h4-10H2,1-3H3,(H2,12,13,14)
InChIKeyVZJZDLKKWVJRQZ-UHFFFAOYSA-N
XLogP1.33
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 51.33
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

1-(4-ethoxybutyl)-3-(3-ethoxypropyl)-2-methylguanidine
CID 111222873
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111787228
1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111222736
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 111786797
1-butyl-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 111767355
1-(3-butoxypropyl)-3-(2-ethoxyethyl)-2-methylguanidine
CID 111239303
1-butyl-3-(4-ethoxybutyl)-2-methylguanidine
CID 111151482
1-(4-ethoxybutyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111895134
1-(3-ethoxypropyl)-3-(2-ethylsulfonylethyl)-2-methylguanidine
CID 111222081
1-(3-ethoxypropyl)-2-methyl-3-(2-phenylsulfanylethyl)guanidine
CID 111223099
1,2-dimethyl-3-(3-methylsulfanylpropyl)guanidine
CID 102135691
2-methyl-1-(3-methylsulfanylpropyl)-3-(3-phenoxypropyl)guanidine
CID 111787651

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine?
The IUPAC name of 1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine (CID 111769721) is 1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine?
The canonical SMILES for 1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine is CCOCCCN/C(=N/C)NCCCSC.
What is the InChIKey of 1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine?
The InChIKey is VZJZDLKKWVJRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3OS/c1-4-15-9-5-7-13-11(12-2)14-8-6-10-16-3/h4-10H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine?
1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine has a molecular weight of 247.41 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-methyl-3-(3-methylsulfanylpropyl)guanidine is sourced from PubChem (CID 111769721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).