[(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol

C12H23NO2 — CID 135037248

IUPAC[(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol
SMILESCCN1C[C@H]2CCC[C@@](CO)(C1)C2OC
InChIInChI=1S/C12H23NO2/c1-3-13-7-10-5-4-6-12(8-13,9-14)11(10)15-2/h10-11,14H,3-9H2,1-2H3/t10-,11?,12+/m1/s1
InChIKeyKNGHULBPWYHXLW-LWALXPGCSA-N
MW213.32 g/mol
LogP1.12
Rot. Bonds3

About [(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol

[(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol (PubChem CID 135037248) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol.

Molecular Properties

Compound Name[(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol
PubChem CID135037248
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol
SMILESCCN1C[C@H]2CCC[C@@](CO)(C1)C2OC
InChIInChI=1S/C12H23NO2/c1-3-13-7-10-5-4-6-12(8-13,9-14)11(10)15-2/h10-11,14H,3-9H2,1-2H3/t10-,11?,12+/m1/s1
InChIKeyKNGHULBPWYHXLW-LWALXPGCSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol?
The IUPAC name of [(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol (CID 135037248) is [(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol.
What is the SMILES notation for [(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol?
The canonical SMILES for [(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol is CCN1C[C@H]2CCC[C@@](CO)(C1)C2OC.
What is the InChIKey of [(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol?
The InChIKey is KNGHULBPWYHXLW-LWALXPGCSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-13-7-10-5-4-6-12(8-13,9-14)11(10)15-2/h10-11,14H,3-9H2,1-2H3/t10-,11?,12+/m1/s1.
What are the key properties of [(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol?
[(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol has a molecular weight of 213.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-ethyl-9-methoxy-3-azabicyclo[3.3.1]nonan-1-yl]methanol is sourced from PubChem (CID 135037248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).