N-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine

C21H24N2O — CID 3440230

IUPACN-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
SMILESCN1C2CCC1CC(=NOC(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C21H24N2O/c1-23-19-12-13-20(23)15-18(14-19)22-24-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,19-21H,12-15H2,1H3
InChIKeyKATPFMNBDOBRRF-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.41
Rot. Bonds4

About N-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine

N-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine (PubChem CID 3440230) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine.

Molecular Properties

Compound NameN-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
PubChem CID3440230
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
SMILESCN1C2CCC1CC(=NOC(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C21H24N2O/c1-23-19-12-13-20(23)15-18(14-19)22-24-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,19-21H,12-15H2,1H3
InChIKeyKATPFMNBDOBRRF-UHFFFAOYSA-N
XLogP4.41
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The IUPAC name of N-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine (CID 3440230) is N-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine.
What is the SMILES notation for N-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The canonical SMILES for N-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine is CN1C2CCC1CC(=NOC(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of N-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The InChIKey is KATPFMNBDOBRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-23-19-12-13-20(23)15-18(14-19)22-24-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,19-21H,12-15H2,1H3.
What are the key properties of N-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
N-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine has a molecular weight of 320.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-imine is sourced from PubChem (CID 3440230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).