3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol

C13H23NO — CID 65145793

IUPAC3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(CC2CCCC2)CC2CCC(C1)N2
InChIInChI=1S/C13H23NO/c15-13(7-10-3-1-2-4-10)8-11-5-6-12(9-13)14-11/h10-12,14-15H,1-9H2
InChIKeyXTMBPDPHXHLSQH-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.21
Rot. Bonds2

About 3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol

3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 65145793) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID65145793
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(CC2CCCC2)CC2CCC(C1)N2
InChIInChI=1S/C13H23NO/c15-13(7-10-3-1-2-4-10)8-11-5-6-12(9-13)14-11/h10-12,14-15H,1-9H2
InChIKeyXTMBPDPHXHLSQH-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 65145793) is 3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(CC2CCCC2)CC2CCC(C1)N2.
What is the InChIKey of 3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is XTMBPDPHXHLSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-13(7-10-3-1-2-4-10)8-11-5-6-12(9-13)14-11/h10-12,14-15H,1-9H2.
What are the key properties of 3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 209.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 65145793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).