2-(2-methoxyethyl)-1,1-dimethylguanidine

C6H15N3O — CID 18727677

IUPAC2-(2-methoxyethyl)-1,1-dimethylguanidine
SMILESCOCC/N=C(\N)N(C)C
InChIInChI=1S/C6H15N3O/c1-9(2)6(7)8-4-5-10-3/h4-5H2,1-3H3,(H2,7,8)
InChIKeyBZPJEFDZLGZYKU-UHFFFAOYSA-N
MW145.21 g/mol
LogP-0.49
Rot. Bonds3

About 2-(2-methoxyethyl)-1,1-dimethylguanidine

2-(2-methoxyethyl)-1,1-dimethylguanidine (PubChem CID 18727677) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1,1-dimethylguanidine
PubChem CID18727677
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name2-(2-methoxyethyl)-1,1-dimethylguanidine
SMILESCOCC/N=C(\N)N(C)C
InChIInChI=1S/C6H15N3O/c1-9(2)6(7)8-4-5-10-3/h4-5H2,1-3H3,(H2,7,8)
InChIKeyBZPJEFDZLGZYKU-UHFFFAOYSA-N
XLogP-0.49
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(2-methoxyethyl)-1,1-dimethylguanidine?
The IUPAC name of 2-(2-methoxyethyl)-1,1-dimethylguanidine (CID 18727677) is 2-(2-methoxyethyl)-1,1-dimethylguanidine.
What is the SMILES notation for 2-(2-methoxyethyl)-1,1-dimethylguanidine?
The canonical SMILES for 2-(2-methoxyethyl)-1,1-dimethylguanidine is COCC/N=C(\N)N(C)C.
What is the InChIKey of 2-(2-methoxyethyl)-1,1-dimethylguanidine?
The InChIKey is BZPJEFDZLGZYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-9(2)6(7)8-4-5-10-3/h4-5H2,1-3H3,(H2,7,8).
What are the key properties of 2-(2-methoxyethyl)-1,1-dimethylguanidine?
2-(2-methoxyethyl)-1,1-dimethylguanidine has a molecular weight of 145.21 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1,1-dimethylguanidine is sourced from PubChem (CID 18727677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).