N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide

C8H17N3O2 — CID 76928995

IUPACN-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide
SMILESCN(CC(N)=NO)C(=O)C(C)(C)C
InChIInChI=1S/C8H17N3O2/c1-8(2,3)7(12)11(4)5-6(9)10-13/h13H,5H2,1-4H3,(H2,9,10)
InChIKeyIASDBAHYUIJFHK-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.24
Rot. Bonds2

About N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide

N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide (PubChem CID 76928995) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide
PubChem CID76928995
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide
SMILESCN(CC(N)=NO)C(=O)C(C)(C)C
InChIInChI=1S/C8H17N3O2/c1-8(2,3)7(12)11(4)5-6(9)10-13/h13H,5H2,1-4H3,(H2,9,10)
InChIKeyIASDBAHYUIJFHK-UHFFFAOYSA-N
XLogP0.24
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.24
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide (CID 76928995) is N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide is CN(CC(N)=NO)C(=O)C(C)(C)C.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide?
The InChIKey is IASDBAHYUIJFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-8(2,3)7(12)11(4)5-6(9)10-13/h13H,5H2,1-4H3,(H2,9,10).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide?
N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide has a molecular weight of 187.24 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 76928995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).