2-(2-propoxyethoxy)propanimidamide

C8H18N2O2 — CID 63685286

IUPAC2-(2-propoxyethoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)OCCOCCC
InChIInChI=1S/C8H18N2O2/c1-3-4-11-5-6-12-7(2)8(9)10/h7H,3-6H2,1-2H3,(H3,9,10)
InChIKeyXNJSUVVIVTYZPC-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.75
Rot. Bonds7

About 2-(2-propoxyethoxy)propanimidamide

2-(2-propoxyethoxy)propanimidamide (PubChem CID 63685286) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(2-propoxyethoxy)propanimidamide.

Molecular Properties

Compound Name2-(2-propoxyethoxy)propanimidamide
PubChem CID63685286
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-(2-propoxyethoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)OCCOCCC
InChIInChI=1S/C8H18N2O2/c1-3-4-11-5-6-12-7(2)8(9)10/h7H,3-6H2,1-2H3,(H3,9,10)
InChIKeyXNJSUVVIVTYZPC-UHFFFAOYSA-N
XLogP0.75
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.75
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 2-(2-propoxyethoxy)propanimidamide?
The IUPAC name of 2-(2-propoxyethoxy)propanimidamide (CID 63685286) is 2-(2-propoxyethoxy)propanimidamide.
What is the SMILES notation for 2-(2-propoxyethoxy)propanimidamide?
The canonical SMILES for 2-(2-propoxyethoxy)propanimidamide is [H]/N=C(\N)C(C)OCCOCCC.
What is the InChIKey of 2-(2-propoxyethoxy)propanimidamide?
The InChIKey is XNJSUVVIVTYZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-4-11-5-6-12-7(2)8(9)10/h7H,3-6H2,1-2H3,(H3,9,10).
What are the key properties of 2-(2-propoxyethoxy)propanimidamide?
2-(2-propoxyethoxy)propanimidamide has a molecular weight of 174.24 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyethoxy)propanimidamide is sourced from PubChem (CID 63685286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).