2-propyl-2-azabicyclo[2.2.2]octane

C10H19N — CID 15173898

IUPAC2-propyl-2-azabicyclo[2.2.2]octane
SMILESCCCN1CC2CCC1CC2
InChIInChI=1S/C10H19N/c1-2-7-11-8-9-3-5-10(11)6-4-9/h9-10H,2-8H2,1H3
InChIKeyFRSLHJMOECYRKR-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.27
Rot. Bonds2

About 2-propyl-2-azabicyclo[2.2.2]octane

2-propyl-2-azabicyclo[2.2.2]octane (PubChem CID 15173898) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-propyl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-propyl-2-azabicyclo[2.2.2]octane
PubChem CID15173898
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-propyl-2-azabicyclo[2.2.2]octane
SMILESCCCN1CC2CCC1CC2
InChIInChI=1S/C10H19N/c1-2-7-11-8-9-3-5-10(11)6-4-9/h9-10H,2-8H2,1H3
InChIKeyFRSLHJMOECYRKR-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-azabicyclo[2.2.2]octane?
The IUPAC name of 2-propyl-2-azabicyclo[2.2.2]octane (CID 15173898) is 2-propyl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-propyl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-propyl-2-azabicyclo[2.2.2]octane is CCCN1CC2CCC1CC2.
What is the InChIKey of 2-propyl-2-azabicyclo[2.2.2]octane?
The InChIKey is FRSLHJMOECYRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-2-7-11-8-9-3-5-10(11)6-4-9/h9-10H,2-8H2,1H3.
What are the key properties of 2-propyl-2-azabicyclo[2.2.2]octane?
2-propyl-2-azabicyclo[2.2.2]octane has a molecular weight of 153.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 15173898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).