(5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol

C12H23NO2 — CID 130287773

IUPAC(5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)N1C2CC[C@@H]1CC(O)(CO)C2
InChIInChI=1S/C12H23NO2/c1-11(2,3)13-9-4-5-10(13)7-12(15,6-9)8-14/h9-10,14-15H,4-8H2,1-3H3/t9-,10?,12?/m1/s1
InChIKeyQEBMONCPCDVVPT-GRZMOONWSA-N
MW213.32 g/mol
LogP1.14
Rot. Bonds1

About (5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol

(5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 130287773) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID130287773
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)N1C2CC[C@@H]1CC(O)(CO)C2
InChIInChI=1S/C12H23NO2/c1-11(2,3)13-9-4-5-10(13)7-12(15,6-9)8-14/h9-10,14-15H,4-8H2,1-3H3/t9-,10?,12?/m1/s1
InChIKeyQEBMONCPCDVVPT-GRZMOONWSA-N
XLogP1.14
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-tert-butyl-2-methyl-7-azabicyclo[2.2.1]heptan-2-ol
CID 58478620
3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 89088947
8-tert-butyl-3-[(6-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176841524
3-tert-butyl-8-[(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176841732
2-(8-tert-butyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid
CID 82242344
1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one
CID 176736984
(1R,5S)-8-cyclopropyl-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 51893342
8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952463
(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 7223736
3-but-3-ynyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952605
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)cyclohexane-1,4-diol
CID 11761328
(3-amino-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 61056846

Frequently Asked Questions

What is the IUPAC name of (5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 130287773) is (5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol is CC(C)(C)N1C2CC[C@@H]1CC(O)(CO)C2.
What is the InChIKey of (5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is QEBMONCPCDVVPT-GRZMOONWSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2,3)13-9-4-5-10(13)7-12(15,6-9)8-14/h9-10,14-15H,4-8H2,1-3H3/t9-,10?,12?/m1/s1.
What are the key properties of (5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol?
(5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 213.32 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-8-tert-butyl-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 130287773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).