(1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C9H17NO2 — CID 124541399

IUPAC(1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1[C@@H]2CC[C@@H]1[C@H](CO)[C@@H](O)C2
InChIInChI=1S/C9H17NO2/c1-10-6-2-3-8(10)7(5-11)9(12)4-6/h6-9,11-12H,2-5H2,1H3/t6-,7+,8-,9+/m1/s1
InChIKeyAJWZUOLYTSRKFZ-XAVMHZPKSA-N
MW171.24 g/mol
LogP-0.18
Rot. Bonds1

About (1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

(1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 124541399) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID124541399
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1[C@@H]2CC[C@@H]1[C@H](CO)[C@@H](O)C2
InChIInChI=1S/C9H17NO2/c1-10-6-2-3-8(10)7(5-11)9(12)4-6/h6-9,11-12H,2-5H2,1H3/t6-,7+,8-,9+/m1/s1
InChIKeyAJWZUOLYTSRKFZ-XAVMHZPKSA-N
XLogP-0.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

(3-cyclopropyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methanol
CID 69428713
7-methyl-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride
CID 20522308
N-[(1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetamide
CID 15549518
[(2R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol
CID 69427433
8-methyl-2-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 115035151
8-methyl-2-piperidin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 115034725
3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid chloride
CID 53313515
(1R)-2,7-dimethyl-7-azabicyclo[2.2.1]heptane
CID 126540948
[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine
CID 10131071
ethyl (1S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 161298426
(1R,2S,4S)-2-chloro-7-methyl-7-azabicyclo[2.2.1]heptane
CID 131218994
[(1S,3R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 10582877

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 124541399) is (1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is CN1[C@@H]2CC[C@@H]1[C@H](CO)[C@@H](O)C2.
What is the InChIKey of (1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is AJWZUOLYTSRKFZ-XAVMHZPKSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10-6-2-3-8(10)7(5-11)9(12)4-6/h6-9,11-12H,2-5H2,1H3/t6-,7+,8-,9+/m1/s1.
What are the key properties of (1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
(1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 171.24 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5R)-2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 124541399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).