N-benzyloctan-1-imine oxide

C15H23NO — CID 134895529

IUPACN-benzyloctan-1-imine oxide
SMILESCCCCCCC/C=[N+](/[O-])Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-2-3-4-5-6-10-13-16(17)14-15-11-8-7-9-12-15/h7-9,11-13H,2-6,10,14H2,1H3/b16-13+
InChIKeyORDGRVQBZVTAQE-DTQAZKPQSA-N
MW233.36 g/mol
LogP4.13
Rot. Bonds8

About N-benzyloctan-1-imine oxide

N-benzyloctan-1-imine oxide (PubChem CID 134895529) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-benzyloctan-1-imine oxide.

Molecular Properties

Compound NameN-benzyloctan-1-imine oxide
PubChem CID134895529
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-benzyloctan-1-imine oxide
SMILESCCCCCCC/C=[N+](/[O-])Cc1ccccc1
InChIInChI=1S/C15H23NO/c1-2-3-4-5-6-10-13-16(17)14-15-11-8-7-9-12-15/h7-9,11-13H,2-6,10,14H2,1H3/b16-13+
InChIKeyORDGRVQBZVTAQE-DTQAZKPQSA-N
XLogP4.13
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-benzyloctan-1-imine oxide?
The IUPAC name of N-benzyloctan-1-imine oxide (CID 134895529) is N-benzyloctan-1-imine oxide.
What is the SMILES notation for N-benzyloctan-1-imine oxide?
The canonical SMILES for N-benzyloctan-1-imine oxide is CCCCCCC/C=[N+](/[O-])Cc1ccccc1.
What is the InChIKey of N-benzyloctan-1-imine oxide?
The InChIKey is ORDGRVQBZVTAQE-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-3-4-5-6-10-13-16(17)14-15-11-8-7-9-12-15/h7-9,11-13H,2-6,10,14H2,1H3/b16-13+.
What are the key properties of N-benzyloctan-1-imine oxide?
N-benzyloctan-1-imine oxide has a molecular weight of 233.36 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyloctan-1-imine oxide is sourced from PubChem (CID 134895529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).