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

C13H29N3O6 — CID 18681318

IUPAC1,1-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine
SMILES[H]/N=C(\N)N(CCOCCOCCO)CCOCCOCCO
InChIInChI=1S/C13H29N3O6/c14-13(15)16(1-5-19-9-11-21-7-3-17)2-6-20-10-12-22-8-4-18/h17-18H,1-12H2,(H3,14,15)
InChIKeyNVWBFUOTJQSOHL-UHFFFAOYSA-N
MW323.39 g/mol
LogP-1.77
Rot. Bonds16

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

1,1-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine (PubChem CID 18681318) has the molecular formula C13H29N3O6 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1,1-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine.

Molecular Properties

Compound Name1,1-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine
PubChem CID18681318
Molecular FormulaC13H29N3O6
Molecular Weight323.39 g/mol
Exact Mass323.21
IUPAC Name1,1-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine
SMILES[H]/N=C(\N)N(CCOCCOCCO)CCOCCOCCO
InChIInChI=1S/C13H29N3O6/c14-13(15)16(1-5-19-9-11-21-7-3-17)2-6-20-10-12-22-8-4-18/h17-18H,1-12H2,(H3,14,15)
InChIKeyNVWBFUOTJQSOHL-UHFFFAOYSA-N
XLogP-1.77
TPSA130.49 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
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'}

Analyze 1,1-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine?
The IUPAC name of 1,1-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine (CID 18681318) is 1,1-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine.
What is the SMILES notation for 1,1-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine?
The canonical SMILES for 1,1-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine is [H]/N=C(\N)N(CCOCCOCCO)CCOCCOCCO.
What is the InChIKey of 1,1-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine?
The InChIKey is NVWBFUOTJQSOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O6/c14-13(15)16(1-5-19-9-11-21-7-3-17)2-6-20-10-12-22-8-4-18/h17-18H,1-12H2,(H3,14,15).
What are the key properties of 1,1-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine?
1,1-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine has a molecular weight of 323.39 g/mol, XLogP of -1.77, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]guanidine is sourced from PubChem (CID 18681318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).