1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine

C8H19N3O3 — CID 21259572

IUPAC1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCOCCOCCO
InChIInChI=1S/C8H19N3O3/c1-11(8(9)10)2-4-13-6-7-14-5-3-12/h12H,2-7H2,1H3,(H3,9,10)
InChIKeyBRZCVZKLOQDFFR-UHFFFAOYSA-N
MW205.26 g/mol
LogP-1.16
Rot. Bonds8

About 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine

1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine (PubChem CID 21259572) has the molecular formula C8H19N3O3 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine.

Molecular Properties

Compound Name1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine
PubChem CID21259572
Molecular FormulaC8H19N3O3
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Name1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCOCCOCCO
InChIInChI=1S/C8H19N3O3/c1-11(8(9)10)2-4-13-6-7-14-5-3-12/h12H,2-7H2,1H3,(H3,9,10)
InChIKeyBRZCVZKLOQDFFR-UHFFFAOYSA-N
XLogP-1.16
TPSA91.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine?
The IUPAC name of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine (CID 21259572) is 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine.
What is the SMILES notation for 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine?
The canonical SMILES for 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine is [H]/N=C(\N)N(C)CCOCCOCCO.
What is the InChIKey of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine?
The InChIKey is BRZCVZKLOQDFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3/c1-11(8(9)10)2-4-13-6-7-14-5-3-12/h12H,2-7H2,1H3,(H3,9,10).
What are the key properties of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine?
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine has a molecular weight of 205.26 g/mol, XLogP of -1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-1-methylguanidine is sourced from PubChem (CID 21259572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).