1-ethyl-1-(2-methoxyethyl)-2-methylguanidine

C7H17N3O — CID 62360260

IUPAC1-ethyl-1-(2-methoxyethyl)-2-methylguanidine
SMILESCCN(CCOC)/C(N)=N/C
InChIInChI=1S/C7H17N3O/c1-4-10(5-6-11-3)7(8)9-2/h4-6H2,1-3H3,(H2,8,9)
InChIKeyXRVKPYQQPGJWAY-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.10
Rot. Bonds4

About 1-ethyl-1-(2-methoxyethyl)-2-methylguanidine

1-ethyl-1-(2-methoxyethyl)-2-methylguanidine (PubChem CID 62360260) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-ethyl-1-(2-methoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-ethyl-1-(2-methoxyethyl)-2-methylguanidine
PubChem CID62360260
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name1-ethyl-1-(2-methoxyethyl)-2-methylguanidine
SMILESCCN(CCOC)/C(N)=N/C
InChIInChI=1S/C7H17N3O/c1-4-10(5-6-11-3)7(8)9-2/h4-6H2,1-3H3,(H2,8,9)
InChIKeyXRVKPYQQPGJWAY-UHFFFAOYSA-N
XLogP-0.10
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-ethyl-1-(2-methoxyethyl)-2-methylguanidine?
The IUPAC name of 1-ethyl-1-(2-methoxyethyl)-2-methylguanidine (CID 62360260) is 1-ethyl-1-(2-methoxyethyl)-2-methylguanidine.
What is the SMILES notation for 1-ethyl-1-(2-methoxyethyl)-2-methylguanidine?
The canonical SMILES for 1-ethyl-1-(2-methoxyethyl)-2-methylguanidine is CCN(CCOC)/C(N)=N/C.
What is the InChIKey of 1-ethyl-1-(2-methoxyethyl)-2-methylguanidine?
The InChIKey is XRVKPYQQPGJWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-4-10(5-6-11-3)7(8)9-2/h4-6H2,1-3H3,(H2,8,9).
What are the key properties of 1-ethyl-1-(2-methoxyethyl)-2-methylguanidine?
1-ethyl-1-(2-methoxyethyl)-2-methylguanidine has a molecular weight of 159.23 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-methoxyethyl)-2-methylguanidine is sourced from PubChem (CID 62360260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).