1,1-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine

C15H33N3O6 — CID 18681294

IUPAC1,1-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine
SMILES[H]/N=C(\N)N(CCOCCOCCOC)CCOCCOCCOC
InChIInChI=1S/C15H33N3O6/c1-19-7-9-23-13-11-21-5-3-18(15(16)17)4-6-22-12-14-24-10-8-20-2/h3-14H2,1-2H3,(H3,16,17)
InChIKeyWBVOYEQXOLLJCM-UHFFFAOYSA-N
MW351.44 g/mol
LogP-0.46
Rot. Bonds18

About 1,1-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine

1,1-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine (PubChem CID 18681294) has the molecular formula C15H33N3O6 and a molecular weight of 351.44 g/mol. Its IUPAC name is 1,1-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine.

Molecular Properties

Compound Name1,1-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine
PubChem CID18681294
Molecular FormulaC15H33N3O6
Molecular Weight351.44 g/mol
Exact Mass351.24
IUPAC Name1,1-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine
SMILES[H]/N=C(\N)N(CCOCCOCCOC)CCOCCOCCOC
InChIInChI=1S/C15H33N3O6/c1-19-7-9-23-13-11-21-5-3-18(15(16)17)4-6-22-12-14-24-10-8-20-2/h3-14H2,1-2H3,(H3,16,17)
InChIKeyWBVOYEQXOLLJCM-UHFFFAOYSA-N
XLogP-0.46
TPSA108.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 1,1-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine?
The IUPAC name of 1,1-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine (CID 18681294) is 1,1-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine.
What is the SMILES notation for 1,1-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine?
The canonical SMILES for 1,1-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine is [H]/N=C(\N)N(CCOCCOCCOC)CCOCCOCCOC.
What is the InChIKey of 1,1-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine?
The InChIKey is WBVOYEQXOLLJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O6/c1-19-7-9-23-13-11-21-5-3-18(15(16)17)4-6-22-12-14-24-10-8-20-2/h3-14H2,1-2H3,(H3,16,17).
What are the key properties of 1,1-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine?
1,1-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine has a molecular weight of 351.44 g/mol, XLogP of -0.46, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]guanidine is sourced from PubChem (CID 18681294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).