1-propyl-2-oxabicyclo[2.2.2]octan-4-amine

C10H19NO — CID 123911016

IUPAC1-propyl-2-oxabicyclo[2.2.2]octan-4-amine
SMILESCCCC12CCC(N)(CC1)CO2
InChIInChI=1S/C10H19NO/c1-2-3-10-6-4-9(11,5-7-10)8-12-10/h2-8,11H2,1H3
InChIKeyGWFXQMCJYWBHGF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.83
Rot. Bonds2

About 1-propyl-2-oxabicyclo[2.2.2]octan-4-amine

1-propyl-2-oxabicyclo[2.2.2]octan-4-amine (PubChem CID 123911016) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-propyl-2-oxabicyclo[2.2.2]octan-4-amine.

Molecular Properties

Compound Name1-propyl-2-oxabicyclo[2.2.2]octan-4-amine
PubChem CID123911016
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-propyl-2-oxabicyclo[2.2.2]octan-4-amine
SMILESCCCC12CCC(N)(CC1)CO2
InChIInChI=1S/C10H19NO/c1-2-3-10-6-4-9(11,5-7-10)8-12-10/h2-8,11H2,1H3
InChIKeyGWFXQMCJYWBHGF-UHFFFAOYSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-oxabicyclo[2.2.2]octan-4-amine?
The IUPAC name of 1-propyl-2-oxabicyclo[2.2.2]octan-4-amine (CID 123911016) is 1-propyl-2-oxabicyclo[2.2.2]octan-4-amine.
What is the SMILES notation for 1-propyl-2-oxabicyclo[2.2.2]octan-4-amine?
The canonical SMILES for 1-propyl-2-oxabicyclo[2.2.2]octan-4-amine is CCCC12CCC(N)(CC1)CO2.
What is the InChIKey of 1-propyl-2-oxabicyclo[2.2.2]octan-4-amine?
The InChIKey is GWFXQMCJYWBHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-10-6-4-9(11,5-7-10)8-12-10/h2-8,11H2,1H3.
What are the key properties of 1-propyl-2-oxabicyclo[2.2.2]octan-4-amine?
1-propyl-2-oxabicyclo[2.2.2]octan-4-amine has a molecular weight of 169.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-oxabicyclo[2.2.2]octan-4-amine is sourced from PubChem (CID 123911016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).