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

C10H23N3O3 — CID 87620124

IUPAC1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCOCCOCCOCC
InChIInChI=1S/C10H23N3O3/c1-3-14-6-7-16-9-8-15-5-4-13(2)10(11)12/h3-9H2,1-2H3,(H3,11,12)
InChIKeyLWRSSMDTIKOTMB-UHFFFAOYSA-N
MW233.31 g/mol
LogP-0.12
Rot. Bonds10

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

1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine (PubChem CID 87620124) has the molecular formula C10H23N3O3 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine.

Molecular Properties

Compound Name1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine
PubChem CID87620124
Molecular FormulaC10H23N3O3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC Name1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCOCCOCCOCC
InChIInChI=1S/C10H23N3O3/c1-3-14-6-7-16-9-8-15-5-4-13(2)10(11)12/h3-9H2,1-2H3,(H3,11,12)
InChIKeyLWRSSMDTIKOTMB-UHFFFAOYSA-N
XLogP-0.12
TPSA80.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
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-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine?
The IUPAC name of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine (CID 87620124) is 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine.
What is the SMILES notation for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine?
The canonical SMILES for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine is [H]/N=C(\N)N(C)CCOCCOCCOCC.
What is the InChIKey of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine?
The InChIKey is LWRSSMDTIKOTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3/c1-3-14-6-7-16-9-8-15-5-4-13(2)10(11)12/h3-9H2,1-2H3,(H3,11,12).
What are the key properties of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine?
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine has a molecular weight of 233.31 g/mol, XLogP of -0.12, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine is sourced from PubChem (CID 87620124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).