3-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol

C11H21NO — CID 171953091

IUPAC3-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCC(C)C1(O)CC2CCCC(C1)N2
InChIInChI=1S/C11H21NO/c1-8(2)11(13)6-9-4-3-5-10(7-11)12-9/h8-10,12-13H,3-7H2,1-2H3
InChIKeyPGYMIECYMFENFZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.68
Rot. Bonds1

About 3-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol

3-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171953091) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171953091
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCC(C)C1(O)CC2CCCC(C1)N2
InChIInChI=1S/C11H21NO/c1-8(2)11(13)6-9-4-3-5-10(7-11)12-9/h8-10,12-13H,3-7H2,1-2H3
InChIKeyPGYMIECYMFENFZ-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171953091) is 3-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol is CC(C)C1(O)CC2CCCC(C1)N2.
What is the InChIKey of 3-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is PGYMIECYMFENFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)11(13)6-9-4-3-5-10(7-11)12-9/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of 3-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol?
3-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 183.29 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171953091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).