1-(2-ethoxyethyl)-1-methylguanidine

C6H15N3O — CID 18681348

IUPAC1-(2-ethoxyethyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCOCC
InChIInChI=1S/C6H15N3O/c1-3-10-5-4-9(2)6(7)8/h3-5H2,1-2H3,(H3,7,8)
InChIKeyGMRICMVNJXLIIA-UHFFFAOYSA-N
MW145.21 g/mol
LogP-0.15
Rot. Bonds4

About 1-(2-ethoxyethyl)-1-methylguanidine

1-(2-ethoxyethyl)-1-methylguanidine (PubChem CID 18681348) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-1-methylguanidine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-1-methylguanidine
PubChem CID18681348
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name1-(2-ethoxyethyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCOCC
InChIInChI=1S/C6H15N3O/c1-3-10-5-4-9(2)6(7)8/h3-5H2,1-2H3,(H3,7,8)
InChIKeyGMRICMVNJXLIIA-UHFFFAOYSA-N
XLogP-0.15
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
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 1-(2-ethoxyethyl)-1-methylguanidine?
The IUPAC name of 1-(2-ethoxyethyl)-1-methylguanidine (CID 18681348) is 1-(2-ethoxyethyl)-1-methylguanidine.
What is the SMILES notation for 1-(2-ethoxyethyl)-1-methylguanidine?
The canonical SMILES for 1-(2-ethoxyethyl)-1-methylguanidine is [H]/N=C(\N)N(C)CCOCC.
What is the InChIKey of 1-(2-ethoxyethyl)-1-methylguanidine?
The InChIKey is GMRICMVNJXLIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-3-10-5-4-9(2)6(7)8/h3-5H2,1-2H3,(H3,7,8).
What are the key properties of 1-(2-ethoxyethyl)-1-methylguanidine?
1-(2-ethoxyethyl)-1-methylguanidine has a molecular weight of 145.21 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-1-methylguanidine is sourced from PubChem (CID 18681348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).