(5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol

C9H17NO — CID 122486222

IUPAC(5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC1C(O)C[C@H]2CCC1N2C
InChIInChI=1S/C9H17NO/c1-6-8-4-3-7(10(8)2)5-9(6)11/h6-9,11H,3-5H2,1-2H3/t6?,7-,8?,9?/m1/s1
InChIKeyWKJKNBGLAJNORB-LDIRUYLGSA-N
MW155.24 g/mol
LogP0.85
Rot. Bonds

About (5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol

(5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 122486222) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID122486222
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC1C(O)C[C@H]2CCC1N2C
InChIInChI=1S/C9H17NO/c1-6-8-4-3-7(10(8)2)5-9(6)11/h6-9,11H,3-5H2,1-2H3/t6?,7-,8?,9?/m1/s1
InChIKeyWKJKNBGLAJNORB-LDIRUYLGSA-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 (5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol (CID 122486222) is (5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol is CC1C(O)C[C@H]2CCC1N2C.
What is the InChIKey of (5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WKJKNBGLAJNORB-LDIRUYLGSA-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/t6?,7-,8?,9?/m1/s1.
What are the key properties of (5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol?
(5R)-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 (5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 122486222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).