N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine

C17H32N2O — CID 62553905

IUPACN-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCN1CCCC1C1CCCC1)C1CCCO1
InChIInChI=1S/C17H32N2O/c1-14(17-9-5-13-20-17)18-10-12-19-11-4-8-16(19)15-6-2-3-7-15/h14-18H,2-13H2,1H3
InChIKeySQZCYMUDCLSPIG-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds6

About N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine

N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 62553905) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
PubChem CID62553905
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCN1CCCC1C1CCCC1)C1CCCO1
InChIInChI=1S/C17H32N2O/c1-14(17-9-5-13-20-17)18-10-12-19-11-4-8-16(19)15-6-2-3-7-15/h14-18H,2-13H2,1H3
InChIKeySQZCYMUDCLSPIG-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine (CID 62553905) is N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine is CC(NCCN1CCCC1C1CCCC1)C1CCCO1.
What is the InChIKey of N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is SQZCYMUDCLSPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14(17-9-5-13-20-17)18-10-12-19-11-4-8-16(19)15-6-2-3-7-15/h14-18H,2-13H2,1H3.
What are the key properties of N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine?
N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 280.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62553905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).