N'-(2-propan-2-yloxyethyl)ethanimidamide

C7H16N2O — CID 104587577

IUPACN'-(2-propan-2-yloxyethyl)ethanimidamide
SMILESC/C(N)=N\CCOC(C)C
InChIInChI=1S/C7H16N2O/c1-6(2)10-5-4-9-7(3)8/h6H,4-5H2,1-3H3,(H2,8,9)
InChIKeyAXIFCUPCHROETB-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.79
Rot. Bonds4

About N'-(2-propan-2-yloxyethyl)ethanimidamide

N'-(2-propan-2-yloxyethyl)ethanimidamide (PubChem CID 104587577) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N'-(2-propan-2-yloxyethyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-propan-2-yloxyethyl)ethanimidamide
PubChem CID104587577
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN'-(2-propan-2-yloxyethyl)ethanimidamide
SMILESC/C(N)=N\CCOC(C)C
InChIInChI=1S/C7H16N2O/c1-6(2)10-5-4-9-7(3)8/h6H,4-5H2,1-3H3,(H2,8,9)
InChIKeyAXIFCUPCHROETB-UHFFFAOYSA-N
XLogP0.79
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-(2-propan-2-yloxyethyl)ethanimidamide?
The IUPAC name of N'-(2-propan-2-yloxyethyl)ethanimidamide (CID 104587577) is N'-(2-propan-2-yloxyethyl)ethanimidamide.
What is the SMILES notation for N'-(2-propan-2-yloxyethyl)ethanimidamide?
The canonical SMILES for N'-(2-propan-2-yloxyethyl)ethanimidamide is C/C(N)=N\CCOC(C)C.
What is the InChIKey of N'-(2-propan-2-yloxyethyl)ethanimidamide?
The InChIKey is AXIFCUPCHROETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(2)10-5-4-9-7(3)8/h6H,4-5H2,1-3H3,(H2,8,9).
What are the key properties of N'-(2-propan-2-yloxyethyl)ethanimidamide?
N'-(2-propan-2-yloxyethyl)ethanimidamide has a molecular weight of 144.22 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-propan-2-yloxyethyl)ethanimidamide is sourced from PubChem (CID 104587577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).