6-propoxy-1-azabicyclo[3.2.1]octane

C10H19NO — CID 19848699

IUPAC6-propoxy-1-azabicyclo[3.2.1]octane
SMILESCCCOC1CN2CCCC1C2
InChIInChI=1S/C10H19NO/c1-2-6-12-10-8-11-5-3-4-9(10)7-11/h9-10H,2-8H2,1H3
InChIKeyFSXDKVCDXSNCMB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds3

About 6-propoxy-1-azabicyclo[3.2.1]octane

6-propoxy-1-azabicyclo[3.2.1]octane (PubChem CID 19848699) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 6-propoxy-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-propoxy-1-azabicyclo[3.2.1]octane
PubChem CID19848699
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name6-propoxy-1-azabicyclo[3.2.1]octane
SMILESCCCOC1CN2CCCC1C2
InChIInChI=1S/C10H19NO/c1-2-6-12-10-8-11-5-3-4-9(10)7-11/h9-10H,2-8H2,1H3
InChIKeyFSXDKVCDXSNCMB-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propoxy-1-azabicyclo[3.2.1]octane?
The IUPAC name of 6-propoxy-1-azabicyclo[3.2.1]octane (CID 19848699) is 6-propoxy-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-propoxy-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-propoxy-1-azabicyclo[3.2.1]octane is CCCOC1CN2CCCC1C2.
What is the InChIKey of 6-propoxy-1-azabicyclo[3.2.1]octane?
The InChIKey is FSXDKVCDXSNCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-6-12-10-8-11-5-3-4-9(10)7-11/h9-10H,2-8H2,1H3.
What are the key properties of 6-propoxy-1-azabicyclo[3.2.1]octane?
6-propoxy-1-azabicyclo[3.2.1]octane has a molecular weight of 169.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 19848699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).