2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol

C9H17NO — CID 14849397

IUPAC2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC1C(O)CC2CCC1N2C
InChIInChI=1S/C9H17NO/c1-6-8-4-3-7(10(8)2)5-9(6)11/h6-9,11H,3-5H2,1-2H3
InChIKeyWKJKNBGLAJNORB-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.85
Rot. Bonds

About 2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol

2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 14849397) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID14849397
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC1C(O)CC2CCC1N2C
InChIInChI=1S/C9H17NO/c1-6-8-4-3-7(10(8)2)5-9(6)11/h6-9,11H,3-5H2,1-2H3
InChIKeyWKJKNBGLAJNORB-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol (CID 14849397) is 2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol is CC1C(O)CC2CCC1N2C.
What is the InChIKey of 2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WKJKNBGLAJNORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-8-4-3-7(10(8)2)5-9(6)11/h6-9,11H,3-5H2,1-2H3.
What are the key properties of 2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol?
2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 155.24 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 14849397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).