1-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine

C10H23N3O2 — CID 62362901

IUPAC1-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
SMILESCOCCOCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C10H23N3O2/c1-10(2,3)13-9(11)12-5-6-15-8-7-14-4/h5-8H2,1-4H3,(H3,11,12,13)
InChIKeyROWRSXHRDOZKEN-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.35
Rot. Bonds6

About 1-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine

1-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine (PubChem CID 62362901) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
PubChem CID62362901
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name1-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
SMILESCOCCOCC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C10H23N3O2/c1-10(2,3)13-9(11)12-5-6-15-8-7-14-4/h5-8H2,1-4H3,(H3,11,12,13)
InChIKeyROWRSXHRDOZKEN-UHFFFAOYSA-N
XLogP0.35
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.35
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-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine (CID 62362901) is 1-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine is COCCOCC/N=C(\N)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine?
The InChIKey is ROWRSXHRDOZKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-10(2,3)13-9(11)12-5-6-15-8-7-14-4/h5-8H2,1-4H3,(H3,11,12,13).
What are the key properties of 1-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine?
1-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine has a molecular weight of 217.31 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine is sourced from PubChem (CID 62362901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).