3-[2-ethoxyethyl(methyl)amino]propanimidamide

C8H19N3O — CID 43457219

IUPAC3-[2-ethoxyethyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCOCC
InChIInChI=1S/C8H19N3O/c1-3-12-7-6-11(2)5-4-8(9)10/h3-7H2,1-2H3,(H3,9,10)
InChIKeyONMDLQMEMIJWSI-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.28
Rot. Bonds7

About 3-[2-ethoxyethyl(methyl)amino]propanimidamide

3-[2-ethoxyethyl(methyl)amino]propanimidamide (PubChem CID 43457219) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(methyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2-ethoxyethyl(methyl)amino]propanimidamide
PubChem CID43457219
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name3-[2-ethoxyethyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CCOCC
InChIInChI=1S/C8H19N3O/c1-3-12-7-6-11(2)5-4-8(9)10/h3-7H2,1-2H3,(H3,9,10)
InChIKeyONMDLQMEMIJWSI-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': '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 3-[2-ethoxyethyl(methyl)amino]propanimidamide?
The IUPAC name of 3-[2-ethoxyethyl(methyl)amino]propanimidamide (CID 43457219) is 3-[2-ethoxyethyl(methyl)amino]propanimidamide.
What is the SMILES notation for 3-[2-ethoxyethyl(methyl)amino]propanimidamide?
The canonical SMILES for 3-[2-ethoxyethyl(methyl)amino]propanimidamide is [H]/N=C(\N)CCN(C)CCOCC.
What is the InChIKey of 3-[2-ethoxyethyl(methyl)amino]propanimidamide?
The InChIKey is ONMDLQMEMIJWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-3-12-7-6-11(2)5-4-8(9)10/h3-7H2,1-2H3,(H3,9,10).
What are the key properties of 3-[2-ethoxyethyl(methyl)amino]propanimidamide?
3-[2-ethoxyethyl(methyl)amino]propanimidamide 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 3-[2-ethoxyethyl(methyl)amino]propanimidamide is sourced from PubChem (CID 43457219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).