1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine

C9H21N3OS — CID 110941554

IUPAC1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine
SMILESCCN/C(=N\CCOC)NCCSC
InChIInChI=1S/C9H21N3OS/c1-4-10-9(11-5-7-13-2)12-6-8-14-3/h4-8H2,1-3H3,(H2,10,11,12)
InChIKeyIKVMRTHCWRLAFQ-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.55
Rot. Bonds7

About 1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine

1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine (PubChem CID 110941554) has the molecular formula C9H21N3OS and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine
PubChem CID110941554
Molecular FormulaC9H21N3OS
Molecular Weight219.35 g/mol
Exact Mass219.14
IUPAC Name1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine
SMILESCCN/C(=N\CCOC)NCCSC
InChIInChI=1S/C9H21N3OS/c1-4-10-9(11-5-7-13-2)12-6-8-14-3/h4-8H2,1-3H3,(H2,10,11,12)
InChIKeyIKVMRTHCWRLAFQ-UHFFFAOYSA-N
XLogP0.55
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.55
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-ethyl-2-(3-methoxypropyl)-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 110975570
1-ethyl-2-[2-(2-methoxyethoxy)ethyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111344152
1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylsulfanylethyl)guanidine
CID 111345365
1-ethyl-2,3-bis(2-methoxyethyl)guanidine
CID 110940924
2-(4-ethoxybutyl)-1-ethyl-3-(2-methylsulfanylethyl)guanidine
CID 111344091
1-ethyl-2-(4-methylsulfanylbutyl)-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111627099
1-ethyl-2-(3-methylbutyl)-3-(2-methylsulfanylethyl)guanidine
CID 110978587
2-(4,4-dimethylpentyl)-1-ethyl-3-(2-methylsulfanylethyl)guanidine
CID 111637938
1-ethyl-3-(2-methylsulfanylethyl)-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778682
1-ethyl-2-[3-(4-methoxyphenoxy)propyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345974
2-(4,4-dimethylpentyl)-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111637937
1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 110965781

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine (CID 110941554) is 1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine is CCN/C(=N\CCOC)NCCSC.
What is the InChIKey of 1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine?
The InChIKey is IKVMRTHCWRLAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3OS/c1-4-10-9(11-5-7-13-2)12-6-8-14-3/h4-8H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine?
1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine has a molecular weight of 219.35 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine is sourced from PubChem (CID 110941554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).