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

C9H21N3O4 — CID 21259569

IUPAC1,1-bis[2-(2-hydroxyethoxy)ethyl]guanidine
SMILES[H]/N=C(\N)N(CCOCCO)CCOCCO
InChIInChI=1S/C9H21N3O4/c10-9(11)12(1-5-15-7-3-13)2-6-16-8-4-14/h13-14H,1-8H2,(H3,10,11)
InChIKeyGUUSKHSSRVTYNJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP-1.80
Rot. Bonds10

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

1,1-bis[2-(2-hydroxyethoxy)ethyl]guanidine (PubChem CID 21259569) has the molecular formula C9H21N3O4 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1,1-bis[2-(2-hydroxyethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1,1-bis[2-(2-hydroxyethoxy)ethyl]guanidine
PubChem CID21259569
Molecular FormulaC9H21N3O4
Molecular Weight235.28 g/mol
Exact Mass235.15
IUPAC Name1,1-bis[2-(2-hydroxyethoxy)ethyl]guanidine
SMILES[H]/N=C(\N)N(CCOCCO)CCOCCO
InChIInChI=1S/C9H21N3O4/c10-9(11)12(1-5-15-7-3-13)2-6-16-8-4-14/h13-14H,1-8H2,(H3,10,11)
InChIKeyGUUSKHSSRVTYNJ-UHFFFAOYSA-N
XLogP-1.80
TPSA112.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
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-Hydroxyethoxy)ethyl]-1-methylguanidine
CID 15514971
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-[2-[2-(2-Hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine
CID 21259572
1-[2-[2-(2-Ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine
CID 87620124
1,1-Bis[2-(2-ethoxyethoxy)ethyl]guanidine
CID 87620900
1,1-Bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine
CID 87621187
1-[2-(2-Ethoxyethoxy)ethyl]-1-methylguanidine
CID 87621709
Ethoxyethane;1-(2-hydroxyethyl)-1-methylguanidine
CID 88414569
3-Hydroxymorpholine-4-carboximidamide
CID 89421984

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[2-(2-hydroxyethoxy)ethyl]guanidine?
The IUPAC name of 1,1-bis[2-(2-hydroxyethoxy)ethyl]guanidine (CID 21259569) is 1,1-bis[2-(2-hydroxyethoxy)ethyl]guanidine.
What is the SMILES notation for 1,1-bis[2-(2-hydroxyethoxy)ethyl]guanidine?
The canonical SMILES for 1,1-bis[2-(2-hydroxyethoxy)ethyl]guanidine is [H]/N=C(\N)N(CCOCCO)CCOCCO.
What is the InChIKey of 1,1-bis[2-(2-hydroxyethoxy)ethyl]guanidine?
The InChIKey is GUUSKHSSRVTYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4/c10-9(11)12(1-5-15-7-3-13)2-6-16-8-4-14/h13-14H,1-8H2,(H3,10,11).
What are the key properties of 1,1-bis[2-(2-hydroxyethoxy)ethyl]guanidine?
1,1-bis[2-(2-hydroxyethoxy)ethyl]guanidine has a molecular weight of 235.28 g/mol, XLogP of -1.80, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[2-(2-hydroxyethoxy)ethyl]guanidine is sourced from PubChem (CID 21259569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).