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

C11H26IN3OS — CID 109467687

IUPAC1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CCCSCC(C)C.I
InChIInChI=1S/C11H25N3OS.HI/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);1H
InChIKeyDLLFUZGZQFAUDS-UHFFFAOYSA-N
MW375.32 g/mol
LogP1.93
Rot. Bonds9

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

1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine;hydroiodide (PubChem CID 109467687) has the molecular formula C11H26IN3OS and a molecular weight of 375.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine;hydroiodide
PubChem CID109467687
Molecular FormulaC11H26IN3OS
Molecular Weight375.32 g/mol
Exact Mass375.08
IUPAC Name1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CCCSCC(C)C.I
InChIInChI=1S/C11H25N3OS.HI/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);1H
InChIKeyDLLFUZGZQFAUDS-UHFFFAOYSA-N
XLogP1.93
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 51.93
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'}, {'alert_name': 'iodine', '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'-[3-(2-methylpropylsulfanyl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 75514094
1-(2-Methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine
CID 109467688
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
1-(3-Ethoxypropyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine;hydroiodide
CID 109467974
1-(3-Ethoxypropyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine
CID 109467975
2-ethyl-N'-methyl-N-[2-(2-methylpropoxy)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485595
N-(2-methoxyethyl)-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487856

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine;hydroiodide (CID 109467687) is 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine;hydroiodide is COCCN/C(N)=N/CCCSCC(C)C.I.
What is the InChIKey of 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine;hydroiodide?
The InChIKey is DLLFUZGZQFAUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3OS.HI/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);1H.
What are the key properties of 1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine;hydroiodide?
1-(2-methoxyethyl)-2-[3-(2-methylpropylsulfanyl)propyl]guanidine;hydroiodide has a molecular weight of 375.32 g/mol, XLogP of 1.93, 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;hydroiodide is sourced from PubChem (CID 109467687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).