N-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine

C12H18N2O2 — CID 5337789

IUPACN-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine
SMILESCCN(O)C(C)(C)/C(=N/O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-4-14(16)12(2,3)11(13-15)10-8-6-5-7-9-10/h5-9,15-16H,4H2,1-3H3/b13-11+
InChIKeyFZZJJSADGZWGGY-ACCUITESSA-N
MW222.29 g/mol
LogP2.35
Rot. Bonds4

About N-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine

N-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine (PubChem CID 5337789) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine
PubChem CID5337789
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine
SMILESCCN(O)C(C)(C)/C(=N/O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-4-14(16)12(2,3)11(13-15)10-8-6-5-7-9-10/h5-9,15-16H,4H2,1-3H3/b13-11+
InChIKeyFZZJJSADGZWGGY-ACCUITESSA-N
XLogP2.35
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine?
The IUPAC name of N-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine (CID 5337789) is N-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine.
What is the SMILES notation for N-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine?
The canonical SMILES for N-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine is CCN(O)C(C)(C)/C(=N/O)c1ccccc1.
What is the InChIKey of N-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine?
The InChIKey is FZZJJSADGZWGGY-ACCUITESSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-14(16)12(2,3)11(13-15)10-8-6-5-7-9-10/h5-9,15-16H,4H2,1-3H3/b13-11+.
What are the key properties of N-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine?
N-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine has a molecular weight of 222.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine is sourced from PubChem (CID 5337789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).