(1S,5R,6R)-3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol

C11H21NO — CID 90337607

IUPAC(1S,5R,6R)-3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol
SMILESCC(C)(C)N1C[C@@H]2[C@H](O)C[C@]2(C)C1
InChIInChI=1S/C11H21NO/c1-10(2,3)12-6-8-9(13)5-11(8,4)7-12/h8-9,13H,5-7H2,1-4H3/t8-,9-,11-/m1/s1
InChIKeyBVERPNBOWBEVIN-FXPVBKGRSA-N
MW183.29 g/mol
LogP1.49
Rot. Bonds

About (1S,5R,6R)-3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol

(1S,5R,6R)-3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol (PubChem CID 90337607) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (1S,5R,6R)-3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol.

Molecular Properties

Compound Name(1S,5R,6R)-3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol
PubChem CID90337607
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(1S,5R,6R)-3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol
SMILESCC(C)(C)N1C[C@@H]2[C@H](O)C[C@]2(C)C1
InChIInChI=1S/C11H21NO/c1-10(2,3)12-6-8-9(13)5-11(8,4)7-12/h8-9,13H,5-7H2,1-4H3/t8-,9-,11-/m1/s1
InChIKeyBVERPNBOWBEVIN-FXPVBKGRSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R)-3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol?
The IUPAC name of (1S,5R,6R)-3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol (CID 90337607) is (1S,5R,6R)-3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol.
What is the SMILES notation for (1S,5R,6R)-3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol?
The canonical SMILES for (1S,5R,6R)-3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol is CC(C)(C)N1C[C@@H]2[C@H](O)C[C@]2(C)C1.
What is the InChIKey of (1S,5R,6R)-3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol?
The InChIKey is BVERPNBOWBEVIN-FXPVBKGRSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,3)12-6-8-9(13)5-11(8,4)7-12/h8-9,13H,5-7H2,1-4H3/t8-,9-,11-/m1/s1.
What are the key properties of (1S,5R,6R)-3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol?
(1S,5R,6R)-3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol has a molecular weight of 183.29 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-3-tert-butyl-1-methyl-3-azabicyclo[3.2.0]heptan-6-ol is sourced from PubChem (CID 90337607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).