1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine

C14H27N3 — CID 54967299

IUPAC1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(C2CCN3CCCCC23)C1
InChIInChI=1S/C14H27N3/c1-2-15-12-6-9-17(11-12)14-7-10-16-8-4-3-5-13(14)16/h12-15H,2-11H2,1H3
InChIKeyVCJUQOMPZKDQLP-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.30
Rot. Bonds3

About 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine (PubChem CID 54967299) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine
PubChem CID54967299
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine
SMILESCCNC1CCN(C2CCN3CCCCC23)C1
InChIInChI=1S/C14H27N3/c1-2-15-12-6-9-17(11-12)14-7-10-16-8-4-3-5-13(14)16/h12-15H,2-11H2,1H3
InChIKeyVCJUQOMPZKDQLP-UHFFFAOYSA-N
XLogP1.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine?
The IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine (CID 54967299) is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine?
The canonical SMILES for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine is CCNC1CCN(C2CCN3CCCCC23)C1.
What is the InChIKey of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine?
The InChIKey is VCJUQOMPZKDQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-15-12-6-9-17(11-12)14-7-10-16-8-4-3-5-13(14)16/h12-15H,2-11H2,1H3.
What are the key properties of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine?
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine has a molecular weight of 237.39 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 54967299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).