4-benzylimino-2-methylpentan-2-ol;hydrobromide

C13H20BrNO — CID 2827399

IUPAC4-benzylimino-2-methylpentan-2-ol;hydrobromide
SMILESBr.C/C(CC(C)(C)O)=N\Cc1ccccc1
InChIInChI=1S/C13H19NO.BrH/c1-11(9-13(2,3)15)14-10-12-7-5-4-6-8-12;/h4-8,15H,9-10H2,1-3H3;1H/b14-11+;
InChIKeyOZUKUJSHRLMPKQ-JHGYPSGKSA-N
MW286.21 g/mol
LogP3.39
Rot. Bonds4

About 4-benzylimino-2-methylpentan-2-ol;hydrobromide

4-benzylimino-2-methylpentan-2-ol;hydrobromide (PubChem CID 2827399) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 4-benzylimino-2-methylpentan-2-ol;hydrobromide.

Molecular Properties

Compound Name4-benzylimino-2-methylpentan-2-ol;hydrobromide
PubChem CID2827399
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name4-benzylimino-2-methylpentan-2-ol;hydrobromide
SMILESBr.C/C(CC(C)(C)O)=N\Cc1ccccc1
InChIInChI=1S/C13H19NO.BrH/c1-11(9-13(2,3)15)14-10-12-7-5-4-6-8-12;/h4-8,15H,9-10H2,1-3H3;1H/b14-11+;
InChIKeyOZUKUJSHRLMPKQ-JHGYPSGKSA-N
XLogP3.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzylimino-2-methylpentan-2-ol;hydrobromide?
The IUPAC name of 4-benzylimino-2-methylpentan-2-ol;hydrobromide (CID 2827399) is 4-benzylimino-2-methylpentan-2-ol;hydrobromide.
What is the SMILES notation for 4-benzylimino-2-methylpentan-2-ol;hydrobromide?
The canonical SMILES for 4-benzylimino-2-methylpentan-2-ol;hydrobromide is Br.C/C(CC(C)(C)O)=N\Cc1ccccc1.
What is the InChIKey of 4-benzylimino-2-methylpentan-2-ol;hydrobromide?
The InChIKey is OZUKUJSHRLMPKQ-JHGYPSGKSA-N. The full InChI is InChI=1S/C13H19NO.BrH/c1-11(9-13(2,3)15)14-10-12-7-5-4-6-8-12;/h4-8,15H,9-10H2,1-3H3;1H/b14-11+;.
What are the key properties of 4-benzylimino-2-methylpentan-2-ol;hydrobromide?
4-benzylimino-2-methylpentan-2-ol;hydrobromide has a molecular weight of 286.21 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylimino-2-methylpentan-2-ol;hydrobromide is sourced from PubChem (CID 2827399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).