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

C8H15NO — CID 59551331

IUPAC[(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol
SMILESCC1(C)[C@@H]2C(CO)NC[C@@H]21
InChIInChI=1S/C8H15NO/c1-8(2)5-3-9-6(4-10)7(5)8/h5-7,9-10H,3-4H2,1-2H3/t5-,6?,7-/m0/s1
InChIKeyXYHWQEDJUAJEAU-LOJRBXKRSA-N
MW141.21 g/mol
LogP0.22
Rot. Bonds1

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

[(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol (PubChem CID 59551331) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol.

Molecular Properties

Compound Name[(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol
PubChem CID59551331
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol
SMILESCC1(C)[C@@H]2C(CO)NC[C@@H]21
InChIInChI=1S/C8H15NO/c1-8(2)5-3-9-6(4-10)7(5)8/h5-7,9-10H,3-4H2,1-2H3/t5-,6?,7-/m0/s1
InChIKeyXYHWQEDJUAJEAU-LOJRBXKRSA-N
XLogP0.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol?
The IUPAC name of [(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol (CID 59551331) is [(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol.
What is the SMILES notation for [(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol?
The canonical SMILES for [(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol is CC1(C)[C@@H]2C(CO)NC[C@@H]21.
What is the InChIKey of [(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol?
The InChIKey is XYHWQEDJUAJEAU-LOJRBXKRSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2)5-3-9-6(4-10)7(5)8/h5-7,9-10H,3-4H2,1-2H3/t5-,6?,7-/m0/s1.
What are the key properties of [(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol?
[(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol has a molecular weight of 141.21 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]methanol is sourced from PubChem (CID 59551331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).