3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol

C9H17NO — CID 90396044

IUPAC3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol
SMILESCC(C)(C)N1CC2C(O)C2C1
InChIInChI=1S/C9H17NO/c1-9(2,3)10-4-6-7(5-10)8(6)11/h6-8,11H,4-5H2,1-3H3
InChIKeyMVMZSTSOCOMVGZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.71
Rot. Bonds

About 3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol

3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol (PubChem CID 90396044) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol
PubChem CID90396044
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol
SMILESCC(C)(C)N1CC2C(O)C2C1
InChIInChI=1S/C9H17NO/c1-9(2,3)10-4-6-7(5-10)8(6)11/h6-8,11H,4-5H2,1-3H3
InChIKeyMVMZSTSOCOMVGZ-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-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-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol?
The IUPAC name of 3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol (CID 90396044) is 3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for 3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for 3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol is CC(C)(C)N1CC2C(O)C2C1.
What is the InChIKey of 3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol?
The InChIKey is MVMZSTSOCOMVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2,3)10-4-6-7(5-10)8(6)11/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol?
3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol has a molecular weight of 155.24 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 90396044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).