4-[2-methoxyethyl(methyl)amino]butanimidamide

C8H19N3O — CID 61427096

IUPAC4-[2-methoxyethyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)CCOC
InChIInChI=1S/C8H19N3O/c1-11(6-7-12-2)5-3-4-8(9)10/h3-7H2,1-2H3,(H3,9,10)
InChIKeyWKXMMKLLIWXPCW-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.28
Rot. Bonds7

About 4-[2-methoxyethyl(methyl)amino]butanimidamide

4-[2-methoxyethyl(methyl)amino]butanimidamide (PubChem CID 61427096) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-[2-methoxyethyl(methyl)amino]butanimidamide.

Molecular Properties

Compound Name4-[2-methoxyethyl(methyl)amino]butanimidamide
PubChem CID61427096
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name4-[2-methoxyethyl(methyl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)CCOC
InChIInChI=1S/C8H19N3O/c1-11(6-7-12-2)5-3-4-8(9)10/h3-7H2,1-2H3,(H3,9,10)
InChIKeyWKXMMKLLIWXPCW-UHFFFAOYSA-N
XLogP0.28
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[2-methoxyethyl(methyl)amino]butanimidamide?
The IUPAC name of 4-[2-methoxyethyl(methyl)amino]butanimidamide (CID 61427096) is 4-[2-methoxyethyl(methyl)amino]butanimidamide.
What is the SMILES notation for 4-[2-methoxyethyl(methyl)amino]butanimidamide?
The canonical SMILES for 4-[2-methoxyethyl(methyl)amino]butanimidamide is [H]/N=C(\N)CCCN(C)CCOC.
What is the InChIKey of 4-[2-methoxyethyl(methyl)amino]butanimidamide?
The InChIKey is WKXMMKLLIWXPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-11(6-7-12-2)5-3-4-8(9)10/h3-7H2,1-2H3,(H3,9,10).
What are the key properties of 4-[2-methoxyethyl(methyl)amino]butanimidamide?
4-[2-methoxyethyl(methyl)amino]butanimidamide has a molecular weight of 173.26 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(methyl)amino]butanimidamide is sourced from PubChem (CID 61427096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).