3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol

C18H27NO — CID 171955385

IUPAC3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCC(C)(C)c1cccc(C2(O)CC3CCCC(C2)N3)c1
InChIInChI=1S/C18H27NO/c1-17(2,3)13-6-4-7-14(10-13)18(20)11-15-8-5-9-16(12-18)19-15/h4,6-7,10,15-16,19-20H,5,8-9,11-12H2,1-3H3
InChIKeyBYYBWTMYHJOKOK-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.48
Rot. Bonds1

About 3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171955385) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171955385
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCC(C)(C)c1cccc(C2(O)CC3CCCC(C2)N3)c1
InChIInChI=1S/C18H27NO/c1-17(2,3)13-6-4-7-14(10-13)18(20)11-15-8-5-9-16(12-18)19-15/h4,6-7,10,15-16,19-20H,5,8-9,11-12H2,1-3H3
InChIKeyBYYBWTMYHJOKOK-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol 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 3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171955385) is 3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol is CC(C)(C)c1cccc(C2(O)CC3CCCC(C2)N3)c1.
What is the InChIKey of 3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is BYYBWTMYHJOKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-17(2,3)13-6-4-7-14(10-13)18(20)11-15-8-5-9-16(12-18)19-15/h4,6-7,10,15-16,19-20H,5,8-9,11-12H2,1-3H3.
What are the key properties of 3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 273.42 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171955385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).