N-tert-butyl-1-phenylmethanimine oxide

C11H15NO — CID 638877

IUPACN-tert-butyl-1-phenylmethanimine oxide
SMILESCC(C)(C)/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9-
InChIKeyIYSYLWYGCWTJSG-XFXZXTDPSA-N
MW177.25 g/mol
LogP2.41
Rot. Bonds1

About N-tert-butyl-1-phenylmethanimine oxide

N-tert-butyl-1-phenylmethanimine oxide (PubChem CID 638877) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-tert-butyl-1-phenylmethanimine oxide.

Molecular Properties

Compound NameN-tert-butyl-1-phenylmethanimine oxide
PubChem CID638877
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-tert-butyl-1-phenylmethanimine oxide
SMILESCC(C)(C)/[N+]([O-])=C/c1ccccc1
InChIInChI=1S/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9-
InChIKeyIYSYLWYGCWTJSG-XFXZXTDPSA-N
XLogP2.41
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-phenylmethanimine oxide?
The IUPAC name of N-tert-butyl-1-phenylmethanimine oxide (CID 638877) is N-tert-butyl-1-phenylmethanimine oxide.
What is the SMILES notation for N-tert-butyl-1-phenylmethanimine oxide?
The canonical SMILES for N-tert-butyl-1-phenylmethanimine oxide is CC(C)(C)/[N+]([O-])=C/c1ccccc1.
What is the InChIKey of N-tert-butyl-1-phenylmethanimine oxide?
The InChIKey is IYSYLWYGCWTJSG-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9-.
What are the key properties of N-tert-butyl-1-phenylmethanimine oxide?
N-tert-butyl-1-phenylmethanimine oxide has a molecular weight of 177.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-phenylmethanimine oxide is sourced from PubChem (CID 638877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).