1-[2-(2-ethoxyethoxy)ethyl]-1-methylguanidine

C8H19N3O2 — CID 87621709

IUPAC1-[2-(2-ethoxyethoxy)ethyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCOCCOCC
InChIInChI=1S/C8H19N3O2/c1-3-12-6-7-13-5-4-11(2)8(9)10/h3-7H2,1-2H3,(H3,9,10)
InChIKeyTYGWVIJDBYSGBZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.14
Rot. Bonds7

About 1-[2-(2-ethoxyethoxy)ethyl]-1-methylguanidine

1-[2-(2-ethoxyethoxy)ethyl]-1-methylguanidine (PubChem CID 87621709) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethoxy)ethyl]-1-methylguanidine.

Molecular Properties

Compound Name1-[2-(2-ethoxyethoxy)ethyl]-1-methylguanidine
PubChem CID87621709
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name1-[2-(2-ethoxyethoxy)ethyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCOCCOCC
InChIInChI=1S/C8H19N3O2/c1-3-12-6-7-13-5-4-11(2)8(9)10/h3-7H2,1-2H3,(H3,9,10)
InChIKeyTYGWVIJDBYSGBZ-UHFFFAOYSA-N
XLogP-0.14
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethoxyethoxy)ethyl]-1-methylguanidine?
The IUPAC name of 1-[2-(2-ethoxyethoxy)ethyl]-1-methylguanidine (CID 87621709) is 1-[2-(2-ethoxyethoxy)ethyl]-1-methylguanidine.
What is the SMILES notation for 1-[2-(2-ethoxyethoxy)ethyl]-1-methylguanidine?
The canonical SMILES for 1-[2-(2-ethoxyethoxy)ethyl]-1-methylguanidine is [H]/N=C(\N)N(C)CCOCCOCC.
What is the InChIKey of 1-[2-(2-ethoxyethoxy)ethyl]-1-methylguanidine?
The InChIKey is TYGWVIJDBYSGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-3-12-6-7-13-5-4-11(2)8(9)10/h3-7H2,1-2H3,(H3,9,10).
What are the key properties of 1-[2-(2-ethoxyethoxy)ethyl]-1-methylguanidine?
1-[2-(2-ethoxyethoxy)ethyl]-1-methylguanidine has a molecular weight of 189.26 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethoxy)ethyl]-1-methylguanidine is sourced from PubChem (CID 87621709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).