N-tert-butyl-1-(4-methylphenyl)methanimine oxide

C12H17NO — CID 11458189

IUPACN-tert-butyl-1-(4-methylphenyl)methanimine oxide
SMILESCc1ccc(/C=[N+](\[O-])C(C)(C)C)cc1
InChIInChI=1S/C12H17NO/c1-10-5-7-11(8-6-10)9-13(14)12(2,3)4/h5-9H,1-4H3/b13-9-
InChIKeyDNDBJRRKSXYKML-LCYFTJDESA-N
MW191.27 g/mol
LogP2.72
Rot. Bonds1

About N-tert-butyl-1-(4-methylphenyl)methanimine oxide

N-tert-butyl-1-(4-methylphenyl)methanimine oxide (PubChem CID 11458189) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-tert-butyl-1-(4-methylphenyl)methanimine oxide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-methylphenyl)methanimine oxide
PubChem CID11458189
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-tert-butyl-1-(4-methylphenyl)methanimine oxide
SMILESCc1ccc(/C=[N+](\[O-])C(C)(C)C)cc1
InChIInChI=1S/C12H17NO/c1-10-5-7-11(8-6-10)9-13(14)12(2,3)4/h5-9H,1-4H3/b13-9-
InChIKeyDNDBJRRKSXYKML-LCYFTJDESA-N
XLogP2.72
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.72
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-(4-methylphenyl)methanimine oxide?
The IUPAC name of N-tert-butyl-1-(4-methylphenyl)methanimine oxide (CID 11458189) is N-tert-butyl-1-(4-methylphenyl)methanimine oxide.
What is the SMILES notation for N-tert-butyl-1-(4-methylphenyl)methanimine oxide?
The canonical SMILES for N-tert-butyl-1-(4-methylphenyl)methanimine oxide is Cc1ccc(/C=[N+](\[O-])C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-1-(4-methylphenyl)methanimine oxide?
The InChIKey is DNDBJRRKSXYKML-LCYFTJDESA-N. The full InChI is InChI=1S/C12H17NO/c1-10-5-7-11(8-6-10)9-13(14)12(2,3)4/h5-9H,1-4H3/b13-9-.
What are the key properties of N-tert-butyl-1-(4-methylphenyl)methanimine oxide?
N-tert-butyl-1-(4-methylphenyl)methanimine oxide has a molecular weight of 191.27 g/mol, XLogP of 2.72, 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-(4-methylphenyl)methanimine oxide is sourced from PubChem (CID 11458189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).