3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

C10H19NO — CID 63588306

IUPAC3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)C1(O)CC2CCC(C1)N2
InChIInChI=1S/C10H19NO/c1-7(2)10(12)5-8-3-4-9(6-10)11-8/h7-9,11-12H,3-6H2,1-2H3
InChIKeyNJAOLVLPIMCNDY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.29
Rot. Bonds1

About 3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63588306) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63588306
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)C1(O)CC2CCC(C1)N2
InChIInChI=1S/C10H19NO/c1-7(2)10(12)5-8-3-4-9(6-10)11-8/h7-9,11-12H,3-6H2,1-2H3
InChIKeyNJAOLVLPIMCNDY-UHFFFAOYSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.29
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-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 63588306) is 3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is CC(C)C1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is NJAOLVLPIMCNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)10(12)5-8-3-4-9(6-10)11-8/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.29, 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-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63588306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).