(4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine

C17H24N2O — CID 23384243

IUPAC(4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine
SMILES[H]/N=C(\c1ccc(C(C)(C)C)cc1)N1CC2CCC(C1)O2
InChIInChI=1S/C17H24N2O/c1-17(2,3)13-6-4-12(5-7-13)16(18)19-10-14-8-9-15(11-19)20-14/h4-7,14-15,18H,8-11H2,1-3H3/b18-16+
InChIKeyYFYGGAHCMCFIHI-FBMGVBCBSA-N
MW272.39 g/mol
LogP3.17
Rot. Bonds1

About (4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine

(4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine (PubChem CID 23384243) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine
PubChem CID23384243
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine
SMILES[H]/N=C(\c1ccc(C(C)(C)C)cc1)N1CC2CCC(C1)O2
InChIInChI=1S/C17H24N2O/c1-17(2,3)13-6-4-12(5-7-13)16(18)19-10-14-8-9-15(11-19)20-14/h4-7,14-15,18H,8-11H2,1-3H3/b18-16+
InChIKeyYFYGGAHCMCFIHI-FBMGVBCBSA-N
XLogP3.17
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine 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 (4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine?
The IUPAC name of (4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine (CID 23384243) is (4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine.
What is the SMILES notation for (4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine?
The canonical SMILES for (4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine is [H]/N=C(\c1ccc(C(C)(C)C)cc1)N1CC2CCC(C1)O2.
What is the InChIKey of (4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine?
The InChIKey is YFYGGAHCMCFIHI-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2,3)13-6-4-12(5-7-13)16(18)19-10-14-8-9-15(11-19)20-14/h4-7,14-15,18H,8-11H2,1-3H3/b18-16+.
What are the key properties of (4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine?
(4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine has a molecular weight of 272.39 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanimine is sourced from PubChem (CID 23384243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).