1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine

C13H25N3 — CID 103975547

IUPAC1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C2CN3CCC2CC3)C1
InChIInChI=1S/C13H25N3/c1-10(14)12-4-7-16(8-12)13-9-15-5-2-11(13)3-6-15/h10-13H,2-9,14H2,1H3
InChIKeyUHWFLNUVZKNVAL-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.75
Rot. Bonds2

About 1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine

1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine (PubChem CID 103975547) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine
PubChem CID103975547
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C2CN3CCC2CC3)C1
InChIInChI=1S/C13H25N3/c1-10(14)12-4-7-16(8-12)13-9-15-5-2-11(13)3-6-15/h10-13H,2-9,14H2,1H3
InChIKeyUHWFLNUVZKNVAL-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine (CID 103975547) is 1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(C2CN3CCC2CC3)C1.
What is the InChIKey of 1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine?
The InChIKey is UHWFLNUVZKNVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(14)12-4-7-16(8-12)13-9-15-5-2-11(13)3-6-15/h10-13H,2-9,14H2,1H3.
What are the key properties of 1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine?
1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine has a molecular weight of 223.36 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).