[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol

C9H17NO — CID 66570658

IUPAC[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
SMILESCN1[C@@H]2CC[C@H]1CC(CO)C2
InChIInChI=1S/C9H17NO/c1-10-8-2-3-9(10)5-7(4-8)6-11/h7-9,11H,2-6H2,1H3/t7?,8-,9+
InChIKeyBIGDJAVQKHVADY-CBLAIPOGSA-N
MW155.24 g/mol
LogP0.85
Rot. Bonds1

About [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol (PubChem CID 66570658) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol.

Molecular Properties

Compound Name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
PubChem CID66570658
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
SMILESCN1[C@@H]2CC[C@H]1CC(CO)C2
InChIInChI=1S/C9H17NO/c1-10-8-2-3-9(10)5-7(4-8)6-11/h7-9,11H,2-6H2,1H3/t7?,8-,9+
InChIKeyBIGDJAVQKHVADY-CBLAIPOGSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 382572
(8-Methyl-8-azabicyclo(3.2.1)octan-3-yl)methanol
CID 22056633
rac-((1R,3R,5S)-8-azabicyclo(3.2.1)octan-3-yl)methanol hydrochloride
CID 71464259
(1-methyl-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl)methanol
CID 118733448
2-[(5R,6R,8R,8aR)-6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]ethanol
CID 163022801
1-Methyl-1lambda~5~-azatricyclo[4.3.0.0~3,9~]nonan-4-ol
CID 422759
(1R,3S,5S)-8-Azabicyclo[3.2.1]octan-3-ylmethanol
CID 51893254
Ecgoninol
CID 71586763
[8-(2,2,2-Trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 117812511
2-[8-(2,2,2-Trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]ethanol
CID 123979122
[(1R,5S)-8-methyl-8-(2,2,2-trifluoroethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]methanol
CID 169859693
[(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 175853750

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The IUPAC name of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol (CID 66570658) is [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol.
What is the SMILES notation for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The canonical SMILES for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol is CN1[C@@H]2CC[C@H]1CC(CO)C2.
What is the InChIKey of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol?
The InChIKey is BIGDJAVQKHVADY-CBLAIPOGSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-8-2-3-9(10)5-7(4-8)6-11/h7-9,11H,2-6H2,1H3/t7?,8-,9+.
What are the key properties of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol?
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol is sourced from PubChem (CID 66570658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).