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

C11H21NO — CID 65146055

IUPAC3-butyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C11H21NO/c1-2-3-6-11(13)7-9-4-5-10(8-11)12-9/h9-10,12-13H,2-8H2,1H3
InChIKeyTWBNQJQLVYMHJX-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.82
Rot. Bonds3

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

3-butyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 65146055) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-butyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-butyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID65146055
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-butyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C11H21NO/c1-2-3-6-11(13)7-9-4-5-10(8-11)12-9/h9-10,12-13H,2-8H2,1H3
InChIKeyTWBNQJQLVYMHJX-UHFFFAOYSA-N
XLogP1.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-butyl-8-azabicyclo[3.2.1]octan-3-ol (CID 65146055) is 3-butyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-butyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-butyl-8-azabicyclo[3.2.1]octan-3-ol is CCCCC1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-butyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is TWBNQJQLVYMHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-6-11(13)7-9-4-5-10(8-11)12-9/h9-10,12-13H,2-8H2,1H3.
What are the key properties of 3-butyl-8-azabicyclo[3.2.1]octan-3-ol?
3-butyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 183.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 65146055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).