N-tert-butyl-1,1-diphenylmethanimine oxide

C17H19NO — CID 13459480

IUPACN-tert-butyl-1,1-diphenylmethanimine oxide
SMILESCC(C)(C)[N+]([O-])=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-17(2,3)18(19)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
InChIKeyKWYJIKSZVDOWQP-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.83
Rot. Bonds2

About N-tert-butyl-1,1-diphenylmethanimine oxide

N-tert-butyl-1,1-diphenylmethanimine oxide (PubChem CID 13459480) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N-tert-butyl-1,1-diphenylmethanimine oxide.

Molecular Properties

Compound NameN-tert-butyl-1,1-diphenylmethanimine oxide
PubChem CID13459480
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN-tert-butyl-1,1-diphenylmethanimine oxide
SMILESCC(C)(C)[N+]([O-])=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-17(2,3)18(19)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
InChIKeyKWYJIKSZVDOWQP-UHFFFAOYSA-N
XLogP3.83
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.83
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-1,1-diphenylmethanimine oxide?
The IUPAC name of N-tert-butyl-1,1-diphenylmethanimine oxide (CID 13459480) is N-tert-butyl-1,1-diphenylmethanimine oxide.
What is the SMILES notation for N-tert-butyl-1,1-diphenylmethanimine oxide?
The canonical SMILES for N-tert-butyl-1,1-diphenylmethanimine oxide is CC(C)(C)[N+]([O-])=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-tert-butyl-1,1-diphenylmethanimine oxide?
The InChIKey is KWYJIKSZVDOWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-17(2,3)18(19)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3.
What are the key properties of N-tert-butyl-1,1-diphenylmethanimine oxide?
N-tert-butyl-1,1-diphenylmethanimine oxide has a molecular weight of 253.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,1-diphenylmethanimine oxide is sourced from PubChem (CID 13459480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).