(1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane

C11H21N — CID 59895923

IUPAC(1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane
SMILESCN1C[C@]2(C)C[C@H]1CC(C)(C)C2
InChIInChI=1S/C11H21N/c1-10(2)5-9-6-11(3,7-10)8-12(9)4/h9H,5-8H2,1-4H3/t9-,11-/m1/s1
InChIKeyAUZPMKBKRIZRER-MWLCHTKSSA-N
MW167.30 g/mol
LogP2.52
Rot. Bonds

About (1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane

(1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane (PubChem CID 59895923) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane
PubChem CID59895923
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane
SMILESCN1C[C@]2(C)C[C@H]1CC(C)(C)C2
InChIInChI=1S/C11H21N/c1-10(2)5-9-6-11(3,7-10)8-12(9)4/h9H,5-8H2,1-4H3/t9-,11-/m1/s1
InChIKeyAUZPMKBKRIZRER-MWLCHTKSSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane (CID 59895923) is (1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane is CN1C[C@]2(C)C[C@H]1CC(C)(C)C2.
What is the InChIKey of (1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane?
The InChIKey is AUZPMKBKRIZRER-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2)5-9-6-11(3,7-10)8-12(9)4/h9H,5-8H2,1-4H3/t9-,11-/m1/s1.
What are the key properties of (1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane?
(1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane has a molecular weight of 167.30 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1,3,3,6-tetramethyl-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 59895923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).