1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylguanidine

C9H21N3O3 — CID 18681314

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCOCCOCCOC
InChIInChI=1S/C9H21N3O3/c1-12(9(10)11)3-4-14-7-8-15-6-5-13-2/h3-8H2,1-2H3,(H3,10,11)
InChIKeyKQHJQOBZMNGFOU-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.51
Rot. Bonds9

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylguanidine

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylguanidine (PubChem CID 18681314) has the molecular formula C9H21N3O3 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylguanidine.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylguanidine
PubChem CID18681314
Molecular FormulaC9H21N3O3
Molecular Weight219.28 g/mol
Exact Mass219.16
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCOCCOCCOC
InChIInChI=1S/C9H21N3O3/c1-12(9(10)11)3-4-14-7-8-15-6-5-13-2/h3-8H2,1-2H3,(H3,10,11)
InChIKeyKQHJQOBZMNGFOU-UHFFFAOYSA-N
XLogP-0.51
TPSA80.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-Hydroxyethoxy)ethyl]-1-methylguanidine
CID 15514971
1-[2-(2-Methoxyethoxy)ethyl]-1-methylguanidine
CID 17891317
1-(2-Methoxyethyl)-1-methylguanidine
CID 18681253
1,1-Bis(2-ethoxyethyl)guanidine
CID 18681268
1,1-Bis[2-(2-methoxyethoxy)ethyl]guanidine
CID 18681282
1,1-Bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine
CID 18681294
1,1-Bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine
CID 18681318
1,1-Bis(2-methoxyethyl)guanidine
CID 18681337
1-(2-Ethoxyethyl)-1-methylguanidine
CID 18681348
1,1-Bis[2-(2-hydroxyethoxy)ethyl]guanidine
CID 21259569
1-[2-[2-(2-Hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine
CID 21259572
[Dimethylamino-[2-(2-ethoxyethoxy)ethyl-methylamino]methylidene]-dimethylazanium
CID 21361911

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylguanidine?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylguanidine (CID 18681314) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylguanidine.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylguanidine?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylguanidine is [H]/N=C(\N)N(C)CCOCCOCCOC.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylguanidine?
The InChIKey is KQHJQOBZMNGFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3/c1-12(9(10)11)3-4-14-7-8-15-6-5-13-2/h3-8H2,1-2H3,(H3,10,11).
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylguanidine?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylguanidine has a molecular weight of 219.28 g/mol, XLogP of -0.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-methylguanidine is sourced from PubChem (CID 18681314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).