3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane

C13H24N2O — CID 66391134

IUPAC3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESC1CNC(CCCN2CC3CCC(C2)O3)C1
InChIInChI=1S/C13H24N2O/c1-3-11(14-7-1)4-2-8-15-9-12-5-6-13(10-15)16-12/h11-14H,1-10H2
InChIKeyHEZGAXIZZIUBNU-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.38
Rot. Bonds4

About 3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66391134) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66391134
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESC1CNC(CCCN2CC3CCC(C2)O3)C1
InChIInChI=1S/C13H24N2O/c1-3-11(14-7-1)4-2-8-15-9-12-5-6-13(10-15)16-12/h11-14H,1-10H2
InChIKeyHEZGAXIZZIUBNU-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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Related Compounds

1-(3-pyrrolidin-2-ylpropyl)piperazine
CID 62480123
2,6-dimethyl-4-(2-pyrrolidin-2-ylethyl)morpholine
CID 61366072
2-ethyl-4-(3-piperidin-2-ylpropyl)morpholine
CID 55048124
(2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine
CID 104967552
4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane
CID 65281341
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
2-[2-(3-ethylazetidin-1-yl)ethyl]pyrrolidine
CID 114794707
1-(4-piperidin-2-ylbutyl)piperidine
CID 15057319
3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine
CID 62480120
4-ethyl-1-(3-piperidin-2-ylpropyl)piperidine
CID 62212363
2-(4,5,5,5-tetrafluoropentyl)pyrrolidine
CID 84734753

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 66391134) is 3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane is C1CNC(CCCN2CC3CCC(C2)O3)C1.
What is the InChIKey of 3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is HEZGAXIZZIUBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-11(14-7-1)4-2-8-15-9-12-5-6-13(10-15)16-12/h11-14H,1-10H2.
What are the key properties of 3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane 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 3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66391134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).