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

C11H25N3O4 — CID 18681282

IUPAC1,1-bis[2-(2-methoxyethoxy)ethyl]guanidine
SMILES[H]/N=C(\N)N(CCOCCOC)CCOCCOC
InChIInChI=1S/C11H25N3O4/c1-15-7-9-17-5-3-14(11(12)13)4-6-18-10-8-16-2/h3-10H2,1-2H3,(H3,12,13)
InChIKeyNYSSNIDHFVLOCW-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.49
Rot. Bonds12

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

1,1-bis[2-(2-methoxyethoxy)ethyl]guanidine (PubChem CID 18681282) has the molecular formula C11H25N3O4 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1,1-bis[2-(2-methoxyethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1,1-bis[2-(2-methoxyethoxy)ethyl]guanidine
PubChem CID18681282
Molecular FormulaC11H25N3O4
Molecular Weight263.34 g/mol
Exact Mass263.18
IUPAC Name1,1-bis[2-(2-methoxyethoxy)ethyl]guanidine
SMILES[H]/N=C(\N)N(CCOCCOC)CCOCCOC
InChIInChI=1S/C11H25N3O4/c1-15-7-9-17-5-3-14(11(12)13)4-6-18-10-8-16-2/h3-10H2,1-2H3,(H3,12,13)
InChIKeyNYSSNIDHFVLOCW-UHFFFAOYSA-N
XLogP-0.49
TPSA90.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.49
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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Frequently Asked Questions

What is the IUPAC name of 1,1-bis[2-(2-methoxyethoxy)ethyl]guanidine?
The IUPAC name of 1,1-bis[2-(2-methoxyethoxy)ethyl]guanidine (CID 18681282) is 1,1-bis[2-(2-methoxyethoxy)ethyl]guanidine.
What is the SMILES notation for 1,1-bis[2-(2-methoxyethoxy)ethyl]guanidine?
The canonical SMILES for 1,1-bis[2-(2-methoxyethoxy)ethyl]guanidine is [H]/N=C(\N)N(CCOCCOC)CCOCCOC.
What is the InChIKey of 1,1-bis[2-(2-methoxyethoxy)ethyl]guanidine?
The InChIKey is NYSSNIDHFVLOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O4/c1-15-7-9-17-5-3-14(11(12)13)4-6-18-10-8-16-2/h3-10H2,1-2H3,(H3,12,13).
What are the key properties of 1,1-bis[2-(2-methoxyethoxy)ethyl]guanidine?
1,1-bis[2-(2-methoxyethoxy)ethyl]guanidine has a molecular weight of 263.34 g/mol, XLogP of -0.49, 12 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-methoxyethoxy)ethyl]guanidine is sourced from PubChem (CID 18681282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).