[(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol

C11H21NO — CID 134979125

IUPAC[(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol
SMILESCCN1C[C@@H]2CC(CO)C[C@@H](C2)C1
InChIInChI=1S/C11H21NO/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-13/h9-11,13H,2-8H2,1H3/t9-,10+,11?
InChIKeyYRBDRWUMRQINFD-ZACCUICWSA-N
MW183.29 g/mol
LogP1.35
Rot. Bonds2

About [(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol

[(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol (PubChem CID 134979125) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol.

Molecular Properties

Compound Name[(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol
PubChem CID134979125
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol
SMILESCCN1C[C@@H]2CC(CO)C[C@@H](C2)C1
InChIInChI=1S/C11H21NO/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-13/h9-11,13H,2-8H2,1H3/t9-,10+,11?
InChIKeyYRBDRWUMRQINFD-ZACCUICWSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol?
The IUPAC name of [(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol (CID 134979125) is [(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol.
What is the SMILES notation for [(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol?
The canonical SMILES for [(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol is CCN1C[C@@H]2CC(CO)C[C@@H](C2)C1.
What is the InChIKey of [(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol?
The InChIKey is YRBDRWUMRQINFD-ZACCUICWSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-13/h9-11,13H,2-8H2,1H3/t9-,10+,11?.
What are the key properties of [(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol?
[(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol has a molecular weight of 183.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-ethyl-3-azabicyclo[3.3.1]nonan-7-yl]methanol is sourced from PubChem (CID 134979125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).