3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol

C11H21NO — CID 43810977

IUPAC3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol
SMILESCC(C)(C)N1CC2CCC(C1)C2O
InChIInChI=1S/C11H21NO/c1-11(2,3)12-6-8-4-5-9(7-12)10(8)13/h8-10,13H,4-7H2,1-3H3
InChIKeyPHFPPPDKZBRNIN-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.49
Rot. Bonds

About 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol

3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol (PubChem CID 43810977) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol
PubChem CID43810977
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol
SMILESCC(C)(C)N1CC2CCC(C1)C2O
InChIInChI=1S/C11H21NO/c1-11(2,3)12-6-8-4-5-9(7-12)10(8)13/h8-10,13H,4-7H2,1-3H3
InChIKeyPHFPPPDKZBRNIN-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol
CID 139039444
7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
CID 140929393
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201
3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol
CID 90396044
(3R,5S)-1-tert-butylpiperidine-3,4,5-triol
CID 172518129
5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 22943643
(3aR,6aS)-5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 90292242
2-tert-butyl-5-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 174199616
3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 43810988
(3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol
CID 11889808
(4aR,9aS)-2-tert-butyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 177091960
7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane
CID 166559685

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol?
The IUPAC name of 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol (CID 43810977) is 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol?
The canonical SMILES for 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol is CC(C)(C)N1CC2CCC(C1)C2O.
What is the InChIKey of 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol?
The InChIKey is PHFPPPDKZBRNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)12-6-8-4-5-9(7-12)10(8)13/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol?
3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol has a molecular weight of 183.30 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 43810977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).