4-benzylimino-2-methylpentan-2-ol

C13H19NO — CID 792883

IUPAC4-benzylimino-2-methylpentan-2-ol
SMILESC/C(CC(C)(C)O)=N\Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(9-13(2,3)15)14-10-12-7-5-4-6-8-12/h4-8,15H,9-10H2,1-3H3/b14-11+
InChIKeyLSZRMSHKYDAVHZ-SDNWHVSQSA-N
MW205.30 g/mol
LogP2.81
Rot. Bonds4

About 4-benzylimino-2-methylpentan-2-ol

4-benzylimino-2-methylpentan-2-ol (PubChem CID 792883) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-benzylimino-2-methylpentan-2-ol.

Molecular Properties

Compound Name4-benzylimino-2-methylpentan-2-ol
PubChem CID792883
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-benzylimino-2-methylpentan-2-ol
SMILESC/C(CC(C)(C)O)=N\Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(9-13(2,3)15)14-10-12-7-5-4-6-8-12/h4-8,15H,9-10H2,1-3H3/b14-11+
InChIKeyLSZRMSHKYDAVHZ-SDNWHVSQSA-N
XLogP2.81
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.81
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?
The IUPAC name of 4-benzylimino-2-methylpentan-2-ol (CID 792883) is 4-benzylimino-2-methylpentan-2-ol.
What is the SMILES notation for 4-benzylimino-2-methylpentan-2-ol?
The canonical SMILES for 4-benzylimino-2-methylpentan-2-ol is C/C(CC(C)(C)O)=N\Cc1ccccc1.
What is the InChIKey of 4-benzylimino-2-methylpentan-2-ol?
The InChIKey is LSZRMSHKYDAVHZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(9-13(2,3)15)14-10-12-7-5-4-6-8-12/h4-8,15H,9-10H2,1-3H3/b14-11+.
What are the key properties of 4-benzylimino-2-methylpentan-2-ol?
4-benzylimino-2-methylpentan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 2.81, 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 is sourced from PubChem (CID 792883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).