3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane

C11H21NO — CID 22947959

IUPAC3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane
SMILESCC1(C)N(O)C(C)(C)C2(C)CC12C
InChIInChI=1S/C11H21NO/c1-8(2)10(5)7-11(10,6)9(3,4)12(8)13/h13H,7H2,1-6H3
InChIKeyXUPRUOOSDSZPDX-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.66
Rot. Bonds

About 3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane

3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 22947959) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane
PubChem CID22947959
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane
SMILESCC1(C)N(O)C(C)(C)C2(C)CC12C
InChIInChI=1S/C11H21NO/c1-8(2)10(5)7-11(10,6)9(3,4)12(8)13/h13H,7H2,1-6H3
InChIKeyXUPRUOOSDSZPDX-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane (CID 22947959) is 3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane is CC1(C)N(O)C(C)(C)C2(C)CC12C.
What is the InChIKey of 3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is XUPRUOOSDSZPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)10(5)7-11(10,6)9(3,4)12(8)13/h13H,7H2,1-6H3.
What are the key properties of 3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane?
3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 183.29 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,2,2,4,4,5-hexamethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 22947959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).