6-propoxy-1-azabicyclo[3.2.1]octane;hydrochloride

C10H20ClNO — CID 19848715

IUPAC6-propoxy-1-azabicyclo[3.2.1]octane;hydrochloride
SMILESCCCOC1CN2CCCC1C2.Cl
InChIInChI=1S/C10H19NO.ClH/c1-2-6-12-10-8-11-5-3-4-9(10)7-11;/h9-10H,2-8H2,1H3;1H
InChIKeyRDUQAIXDOWIKIV-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.93
Rot. Bonds3

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

6-propoxy-1-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 19848715) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 6-propoxy-1-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name6-propoxy-1-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID19848715
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name6-propoxy-1-azabicyclo[3.2.1]octane;hydrochloride
SMILESCCCOC1CN2CCCC1C2.Cl
InChIInChI=1S/C10H19NO.ClH/c1-2-6-12-10-8-11-5-3-4-9(10)7-11;/h9-10H,2-8H2,1H3;1H
InChIKeyRDUQAIXDOWIKIV-UHFFFAOYSA-N
XLogP1.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.93
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;hydrochloride?
The IUPAC name of 6-propoxy-1-azabicyclo[3.2.1]octane;hydrochloride (CID 19848715) is 6-propoxy-1-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 6-propoxy-1-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 6-propoxy-1-azabicyclo[3.2.1]octane;hydrochloride is CCCOC1CN2CCCC1C2.Cl.
What is the InChIKey of 6-propoxy-1-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is RDUQAIXDOWIKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c1-2-6-12-10-8-11-5-3-4-9(10)7-11;/h9-10H,2-8H2,1H3;1H.
What are the key properties of 6-propoxy-1-azabicyclo[3.2.1]octane;hydrochloride?
6-propoxy-1-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 1.93, 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;hydrochloride is sourced from PubChem (CID 19848715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).