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

C11H21NO — CID 158262953

IUPAC1-tert-butyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)C12CCC(CC(O)C1)N2
InChIInChI=1S/C11H21NO/c1-10(2,3)11-5-4-8(12-11)6-9(13)7-11/h8-9,12-13H,4-7H2,1-3H3
InChIKeyGICGPFDOZGYBNK-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.68
Rot. Bonds

About 1-tert-butyl-8-azabicyclo[3.2.1]octan-3-ol

1-tert-butyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 158262953) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-tert-butyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name1-tert-butyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID158262953
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-tert-butyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)C12CCC(CC(O)C1)N2
InChIInChI=1S/C11H21NO/c1-10(2,3)11-5-4-8(12-11)6-9(13)7-11/h8-9,12-13H,4-7H2,1-3H3
InChIKeyGICGPFDOZGYBNK-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 1-tert-butyl-8-azabicyclo[3.2.1]octan-3-ol (CID 158262953) is 1-tert-butyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 1-tert-butyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 1-tert-butyl-8-azabicyclo[3.2.1]octan-3-ol is CC(C)(C)C12CCC(CC(O)C1)N2.
What is the InChIKey of 1-tert-butyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is GICGPFDOZGYBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,3)11-5-4-8(12-11)6-9(13)7-11/h8-9,12-13H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-8-azabicyclo[3.2.1]octan-3-ol?
1-tert-butyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 183.30 g/mol, XLogP of 1.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 158262953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).