2-(oxolan-2-yl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine

C13H26N2O — CID 82835727

IUPAC2-(oxolan-2-yl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine
SMILESCC(C)C1CCCN1C(CN)C1CCCO1
InChIInChI=1S/C13H26N2O/c1-10(2)11-5-3-7-15(11)12(9-14)13-6-4-8-16-13/h10-13H,3-9,14H2,1-2H3
InChIKeyITCAWTMIIODFOB-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds4

About 2-(oxolan-2-yl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine

2-(oxolan-2-yl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine (PubChem CID 82835727) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine
PubChem CID82835727
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(oxolan-2-yl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine
SMILESCC(C)C1CCCN1C(CN)C1CCCO1
InChIInChI=1S/C13H26N2O/c1-10(2)11-5-3-7-15(11)12(9-14)13-6-4-8-16-13/h10-13H,3-9,14H2,1-2H3
InChIKeyITCAWTMIIODFOB-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(oxolan-2-yl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine (CID 82835727) is 2-(oxolan-2-yl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(oxolan-2-yl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(oxolan-2-yl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine is CC(C)C1CCCN1C(CN)C1CCCO1.
What is the InChIKey of 2-(oxolan-2-yl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is ITCAWTMIIODFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)11-5-3-7-15(11)12(9-14)13-6-4-8-16-13/h10-13H,3-9,14H2,1-2H3.
What are the key properties of 2-(oxolan-2-yl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine?
2-(oxolan-2-yl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 82835727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).