N-benzyl-2,2-dimethylpropan-1-imine oxide

C12H17NO — CID 11019669

IUPACN-benzyl-2,2-dimethylpropan-1-imine oxide
SMILESCC(C)(C)/C=[N+](\[O-])Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-12(2,3)10-13(14)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/b13-10-
InChIKeyWHKDLMWRVGSVEP-RAXLEYEMSA-N
MW191.27 g/mol
LogP2.81
Rot. Bonds2

About N-benzyl-2,2-dimethylpropan-1-imine oxide

N-benzyl-2,2-dimethylpropan-1-imine oxide (PubChem CID 11019669) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-benzyl-2,2-dimethylpropan-1-imine oxide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethylpropan-1-imine oxide
PubChem CID11019669
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-benzyl-2,2-dimethylpropan-1-imine oxide
SMILESCC(C)(C)/C=[N+](\[O-])Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-12(2,3)10-13(14)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/b13-10-
InChIKeyWHKDLMWRVGSVEP-RAXLEYEMSA-N
XLogP2.81
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.81
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-benzyl-2,2-dimethylpropan-1-imine oxide?
The IUPAC name of N-benzyl-2,2-dimethylpropan-1-imine oxide (CID 11019669) is N-benzyl-2,2-dimethylpropan-1-imine oxide.
What is the SMILES notation for N-benzyl-2,2-dimethylpropan-1-imine oxide?
The canonical SMILES for N-benzyl-2,2-dimethylpropan-1-imine oxide is CC(C)(C)/C=[N+](\[O-])Cc1ccccc1.
What is the InChIKey of N-benzyl-2,2-dimethylpropan-1-imine oxide?
The InChIKey is WHKDLMWRVGSVEP-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2,3)10-13(14)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/b13-10-.
What are the key properties of N-benzyl-2,2-dimethylpropan-1-imine oxide?
N-benzyl-2,2-dimethylpropan-1-imine oxide has a molecular weight of 191.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethylpropan-1-imine oxide is sourced from PubChem (CID 11019669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).