[(1S,5R)-3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C11H21NO — CID 59848795

IUPAC[(1S,5R)-3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCC(C)(C)CN1C[C@@H]2C(CO)[C@@H]2C1
InChIInChI=1S/C11H21NO/c1-11(2,3)7-12-4-8-9(5-12)10(8)6-13/h8-10,13H,4-7H2,1-3H3/t8-,9+,10?
InChIKeyLJRWSKZJATYCCA-ULKQDVFKSA-N
MW183.30 g/mol
LogP1.20
Rot. Bonds2

About [(1S,5R)-3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[(1S,5R)-3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 59848795) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is [(1S,5R)-3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[(1S,5R)-3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID59848795
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name[(1S,5R)-3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCC(C)(C)CN1C[C@@H]2C(CO)[C@@H]2C1
InChIInChI=1S/C11H21NO/c1-11(2,3)7-12-4-8-9(5-12)10(8)6-13/h8-10,13H,4-7H2,1-3H3/t8-,9+,10?
InChIKeyLJRWSKZJATYCCA-ULKQDVFKSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [(1S,5R)-3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 59848795) is [(1S,5R)-3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [(1S,5R)-3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [(1S,5R)-3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is CC(C)(C)CN1C[C@@H]2C(CO)[C@@H]2C1.
What is the InChIKey of [(1S,5R)-3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is LJRWSKZJATYCCA-ULKQDVFKSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)7-12-4-8-9(5-12)10(8)6-13/h8-10,13H,4-7H2,1-3H3/t8-,9+,10?.
What are the key properties of [(1S,5R)-3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[(1S,5R)-3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 183.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-(2,2-dimethylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 59848795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).