2-(2-cyclopentylpyrrolidin-1-yl)-2-(oxan-3-yl)ethanamine

C16H30N2O — CID 55242032

IUPAC2-(2-cyclopentylpyrrolidin-1-yl)-2-(oxan-3-yl)ethanamine
SMILESNCC(C1CCCOC1)N1CCCC1C1CCCC1
InChIInChI=1S/C16H30N2O/c17-11-16(14-7-4-10-19-12-14)18-9-3-8-15(18)13-5-1-2-6-13/h13-16H,1-12,17H2
InChIKeyRURVTLCAWCXXLL-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.39
Rot. Bonds4

About 2-(2-cyclopentylpyrrolidin-1-yl)-2-(oxan-3-yl)ethanamine

2-(2-cyclopentylpyrrolidin-1-yl)-2-(oxan-3-yl)ethanamine (PubChem CID 55242032) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(2-cyclopentylpyrrolidin-1-yl)-2-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclopentylpyrrolidin-1-yl)-2-(oxan-3-yl)ethanamine
PubChem CID55242032
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(2-cyclopentylpyrrolidin-1-yl)-2-(oxan-3-yl)ethanamine
SMILESNCC(C1CCCOC1)N1CCCC1C1CCCC1
InChIInChI=1S/C16H30N2O/c17-11-16(14-7-4-10-19-12-14)18-9-3-8-15(18)13-5-1-2-6-13/h13-16H,1-12,17H2
InChIKeyRURVTLCAWCXXLL-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-2-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-2-(oxan-3-yl)ethanamine (CID 55242032) is 2-(2-cyclopentylpyrrolidin-1-yl)-2-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclopentylpyrrolidin-1-yl)-2-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(2-cyclopentylpyrrolidin-1-yl)-2-(oxan-3-yl)ethanamine is NCC(C1CCCOC1)N1CCCC1C1CCCC1.
What is the InChIKey of 2-(2-cyclopentylpyrrolidin-1-yl)-2-(oxan-3-yl)ethanamine?
The InChIKey is RURVTLCAWCXXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c17-11-16(14-7-4-10-19-12-14)18-9-3-8-15(18)13-5-1-2-6-13/h13-16H,1-12,17H2.
What are the key properties of 2-(2-cyclopentylpyrrolidin-1-yl)-2-(oxan-3-yl)ethanamine?
2-(2-cyclopentylpyrrolidin-1-yl)-2-(oxan-3-yl)ethanamine has a molecular weight of 266.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylpyrrolidin-1-yl)-2-(oxan-3-yl)ethanamine is sourced from PubChem (CID 55242032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).