1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine

C13H24N2O — CID 80721052

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(C2CC3CCC2O3)C1
InChIInChI=1S/C13H24N2O/c1-2-6-14-10-5-7-15(9-10)12-8-11-3-4-13(12)16-11/h10-14H,2-9H2,1H3
InChIKeySOTCZMIWIAHQQW-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.38
Rot. Bonds4

About 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine

1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine (PubChem CID 80721052) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine
PubChem CID80721052
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(C2CC3CCC2O3)C1
InChIInChI=1S/C13H24N2O/c1-2-6-14-10-5-7-15(9-10)12-8-11-3-4-13(12)16-11/h10-14H,2-9H2,1H3
InChIKeySOTCZMIWIAHQQW-UHFFFAOYSA-N
XLogP1.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine (CID 80721052) is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine is CCCNC1CCN(C2CC3CCC2O3)C1.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine?
The InChIKey is SOTCZMIWIAHQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-6-14-10-5-7-15(9-10)12-8-11-3-4-13(12)16-11/h10-14H,2-9H2,1H3.
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine?
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 80721052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).