2-(2-propan-2-yloxyethoxy)ethanimidamide

C7H16N2O2 — CID 24703493

IUPAC2-(2-propan-2-yloxyethoxy)ethanimidamide
SMILES[H]/N=C(\N)COCCOC(C)C
InChIInChI=1S/C7H16N2O2/c1-6(2)11-4-3-10-5-7(8)9/h6H,3-5H2,1-2H3,(H3,8,9)
InChIKeyNAQBCZGTSLKFMH-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.36
Rot. Bonds6

About 2-(2-propan-2-yloxyethoxy)ethanimidamide

2-(2-propan-2-yloxyethoxy)ethanimidamide (PubChem CID 24703493) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyethoxy)ethanimidamide.

Molecular Properties

Compound Name2-(2-propan-2-yloxyethoxy)ethanimidamide
PubChem CID24703493
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name2-(2-propan-2-yloxyethoxy)ethanimidamide
SMILES[H]/N=C(\N)COCCOC(C)C
InChIInChI=1S/C7H16N2O2/c1-6(2)11-4-3-10-5-7(8)9/h6H,3-5H2,1-2H3,(H3,8,9)
InChIKeyNAQBCZGTSLKFMH-UHFFFAOYSA-N
XLogP0.36
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.36
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-propan-2-yloxyethoxy)ethanimidamide?
The IUPAC name of 2-(2-propan-2-yloxyethoxy)ethanimidamide (CID 24703493) is 2-(2-propan-2-yloxyethoxy)ethanimidamide.
What is the SMILES notation for 2-(2-propan-2-yloxyethoxy)ethanimidamide?
The canonical SMILES for 2-(2-propan-2-yloxyethoxy)ethanimidamide is [H]/N=C(\N)COCCOC(C)C.
What is the InChIKey of 2-(2-propan-2-yloxyethoxy)ethanimidamide?
The InChIKey is NAQBCZGTSLKFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(2)11-4-3-10-5-7(8)9/h6H,3-5H2,1-2H3,(H3,8,9).
What are the key properties of 2-(2-propan-2-yloxyethoxy)ethanimidamide?
2-(2-propan-2-yloxyethoxy)ethanimidamide has a molecular weight of 160.22 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyethoxy)ethanimidamide is sourced from PubChem (CID 24703493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).