1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine

C11H25N3OS — CID 109467688

IUPAC1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine
SMILESCOCCN/C(N)=N/CCCSCC(C)C
InChIInChI=1S/C11H25N3OS/c1-10(2)9-16-8-4-5-13-11(12)14-6-7-15-3/h10H,4-9H2,1-3H3,(H3,12,13,14)
InChIKeyBGHDLPZFEJHIGU-UHFFFAOYSA-N
MW247.41 g/mol
LogP1.32
Rot. Bonds9

About 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine

1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine (PubChem CID 109467688) has the molecular formula C11H25N3OS and a molecular weight of 247.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine
PubChem CID109467688
Molecular FormulaC11H25N3OS
Molecular Weight247.41 g/mol
Exact Mass247.17
IUPAC Name1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine
SMILESCOCCN/C(N)=N/CCCSCC(C)C
InChIInChI=1S/C11H25N3OS/c1-10(2)9-16-8-4-5-13-11(12)14-6-7-15-3/h10H,4-9H2,1-3H3,(H3,12,13,14)
InChIKeyBGHDLPZFEJHIGU-UHFFFAOYSA-N
XLogP1.32
TPSA59.64 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 ≤ 51.32
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-(2-Tert-butylsulfanylethyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 53606784
1-(2-Tert-butylsulfanylethyl)-2-(3-ethoxypropyl)guanidine
CID 53606785
N-(2-methoxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035923
N-(2-ethoxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035998
N-(2-butoxyethyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036376
N-(1-methoxypropan-2-yl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036657
1-Amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine
CID 104886204
N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105916952
1-[2-(3-Hydroxypropylsulfanyl)ethyl]-2-(2-methylpropyl)guanidine
CID 106311076
1-(2-Methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine;hydroiodide
CID 109467687
1-(1-Methoxypropan-2-yl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine;hydroiodide
CID 109467972
1-(1-Methoxypropan-2-yl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine
CID 109467973

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine (CID 109467688) is 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine is COCCN/C(N)=N/CCCSCC(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine?
The InChIKey is BGHDLPZFEJHIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3OS/c1-10(2)9-16-8-4-5-13-11(12)14-6-7-15-3/h10H,4-9H2,1-3H3,(H3,12,13,14).
What are the key properties of 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine?
1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine has a molecular weight of 247.41 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine is sourced from PubChem (CID 109467688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).