1-amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine

C9H22N4OS — CID 104886204

IUPAC1-amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine
SMILESCOCCN/C(=N\CC(C)CSC)NN
InChIInChI=1S/C9H22N4OS/c1-8(7-15-3)6-12-9(13-10)11-4-5-14-2/h8H,4-7,10H2,1-3H3,(H2,11,12,13)
InChIKeyLGNVOWFZTNGOHT-UHFFFAOYSA-N
MW234.37 g/mol
LogP0.04
Rot. Bonds7

About 1-amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine

1-amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine (PubChem CID 104886204) has the molecular formula C9H22N4OS and a molecular weight of 234.37 g/mol. Its IUPAC name is 1-amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine
PubChem CID104886204
Molecular FormulaC9H22N4OS
Molecular Weight234.37 g/mol
Exact Mass234.15
IUPAC Name1-amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine
SMILESCOCCN/C(=N\CC(C)CSC)NN
InChIInChI=1S/C9H22N4OS/c1-8(7-15-3)6-12-9(13-10)11-4-5-14-2/h8H,4-7,10H2,1-3H3,(H2,11,12,13)
InChIKeyLGNVOWFZTNGOHT-UHFFFAOYSA-N
XLogP0.04
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine?
The IUPAC name of 1-amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine (CID 104886204) is 1-amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine.
What is the SMILES notation for 1-amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine?
The canonical SMILES for 1-amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine is COCCN/C(=N\CC(C)CSC)NN.
What is the InChIKey of 1-amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine?
The InChIKey is LGNVOWFZTNGOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4OS/c1-8(7-15-3)6-12-9(13-10)11-4-5-14-2/h8H,4-7,10H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine?
1-amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine has a molecular weight of 234.37 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methoxyethyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine is sourced from PubChem (CID 104886204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).