1,1-bis[2-(2-ethoxyethoxy)ethyl]guanidine

C13H29N3O4 — CID 87620900

IUPAC1,1-bis[2-(2-ethoxyethoxy)ethyl]guanidine
SMILES[H]/N=C(\N)N(CCOCCOCC)CCOCCOCC
InChIInChI=1S/C13H29N3O4/c1-3-17-9-11-19-7-5-16(13(14)15)6-8-20-12-10-18-4-2/h3-12H2,1-2H3,(H3,14,15)
InChIKeyYAQVDRVKOJGZIB-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.29
Rot. Bonds14

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

1,1-bis[2-(2-ethoxyethoxy)ethyl]guanidine (PubChem CID 87620900) has the molecular formula C13H29N3O4 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1,1-bis[2-(2-ethoxyethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1,1-bis[2-(2-ethoxyethoxy)ethyl]guanidine
PubChem CID87620900
Molecular FormulaC13H29N3O4
Molecular Weight291.39 g/mol
Exact Mass291.22
IUPAC Name1,1-bis[2-(2-ethoxyethoxy)ethyl]guanidine
SMILES[H]/N=C(\N)N(CCOCCOCC)CCOCCOCC
InChIInChI=1S/C13H29N3O4/c1-3-17-9-11-19-7-5-16(13(14)15)6-8-20-12-10-18-4-2/h3-12H2,1-2H3,(H3,14,15)
InChIKeyYAQVDRVKOJGZIB-UHFFFAOYSA-N
XLogP0.29
TPSA90.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-Methoxyethoxy)ethyl]-1-methylguanidine
CID 17891317
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-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-1-methylguanidine
CID 18681314
1,1-Bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine
CID 18681318
1,1-Bis(2-methoxyethyl)guanidine
CID 18681337
1,1-Bis[2-(2-hydroxyethoxy)ethyl]guanidine
CID 21259569
1-[2-[2-(2-Hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine
CID 21259572
[Dimethylamino-[ethyl-[2-(2-methoxyethoxy)ethyl]amino]methylidene]-dimethylazanium
CID 22950242
2-[2-[Carbamimidoyl(methyl)amino]ethoxy]ethyl acetate
CID 53935683
2-[2-[2-[Carbamimidoyl(methyl)amino]ethoxy]ethoxy]ethyl acetate
CID 54232059

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[2-(2-ethoxyethoxy)ethyl]guanidine?
The IUPAC name of 1,1-bis[2-(2-ethoxyethoxy)ethyl]guanidine (CID 87620900) is 1,1-bis[2-(2-ethoxyethoxy)ethyl]guanidine.
What is the SMILES notation for 1,1-bis[2-(2-ethoxyethoxy)ethyl]guanidine?
The canonical SMILES for 1,1-bis[2-(2-ethoxyethoxy)ethyl]guanidine is [H]/N=C(\N)N(CCOCCOCC)CCOCCOCC.
What is the InChIKey of 1,1-bis[2-(2-ethoxyethoxy)ethyl]guanidine?
The InChIKey is YAQVDRVKOJGZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O4/c1-3-17-9-11-19-7-5-16(13(14)15)6-8-20-12-10-18-4-2/h3-12H2,1-2H3,(H3,14,15).
What are the key properties of 1,1-bis[2-(2-ethoxyethoxy)ethyl]guanidine?
1,1-bis[2-(2-ethoxyethoxy)ethyl]guanidine has a molecular weight of 291.39 g/mol, XLogP of 0.29, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[2-(2-ethoxyethoxy)ethyl]guanidine is sourced from PubChem (CID 87620900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).