1-(2-methoxyethyl)-1-methylguanidine

C5H13N3O — CID 18681253

IUPAC1-(2-methoxyethyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCOC
InChIInChI=1S/C5H13N3O/c1-8(5(6)7)3-4-9-2/h3-4H2,1-2H3,(H3,6,7)
InChIKeyATFPWPQJUULRLD-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.54
Rot. Bonds3

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

1-(2-methoxyethyl)-1-methylguanidine (PubChem CID 18681253) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-methylguanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-methylguanidine
PubChem CID18681253
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name1-(2-methoxyethyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CCOC
InChIInChI=1S/C5H13N3O/c1-8(5(6)7)3-4-9-2/h3-4H2,1-2H3,(H3,6,7)
InChIKeyATFPWPQJUULRLD-UHFFFAOYSA-N
XLogP-0.54
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
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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Related Compounds

Morpholinoamidine
CID 205053
N-(2-Hydroxyethyl)-N-methylguanidine
CID 83440
N-(2-Hydroxyethyl)-N-methylguanidine monohydrobromide
CID 3014527
3-Methyl-1,3-oxazolidin-2-imine
CID 21475757
2-Azabutane, N-amidino-4,4-dimethoxy-
CID 554358
1-[2-(2-Methoxyethoxy)ethyl]-1-methylguanidine
CID 17891317
1,1-Bis(2-ethoxyethyl)guanidine
CID 18681268
1-(2-Methoxypropyl)-1-methylguanidine
CID 18681310
1-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-1-methylguanidine
CID 18681314
1,1-Bis(2-methoxyethyl)guanidine
CID 18681337
1-(2-Ethoxyethyl)-1-methylguanidine
CID 18681348
1-Ethyl-1-(2-methoxyethyl)guanidine
CID 18952249

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-methylguanidine?
The IUPAC name of 1-(2-methoxyethyl)-1-methylguanidine (CID 18681253) is 1-(2-methoxyethyl)-1-methylguanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-1-methylguanidine?
The canonical SMILES for 1-(2-methoxyethyl)-1-methylguanidine is [H]/N=C(\N)N(C)CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-1-methylguanidine?
The InChIKey is ATFPWPQJUULRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-8(5(6)7)3-4-9-2/h3-4H2,1-2H3,(H3,6,7).
What are the key properties of 1-(2-methoxyethyl)-1-methylguanidine?
1-(2-methoxyethyl)-1-methylguanidine has a molecular weight of 131.18 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-methylguanidine is sourced from PubChem (CID 18681253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).