2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine

C16H30N2O — CID 62555552

IUPAC2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESC1COC(CNCCN2CCCC2C2CCCC2)C1
InChIInChI=1S/C16H30N2O/c1-2-6-14(5-1)16-8-3-10-18(16)11-9-17-13-15-7-4-12-19-15/h14-17H,1-13H2
InChIKeyAKEZDHIYVJKHFC-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds6

About 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine

2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 62555552) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID62555552
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESC1COC(CNCCN2CCCC2C2CCCC2)C1
InChIInChI=1S/C16H30N2O/c1-2-6-14(5-1)16-8-3-10-18(16)11-9-17-13-15-7-4-12-19-15/h14-17H,1-13H2
InChIKeyAKEZDHIYVJKHFC-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 62555552) is 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine is C1COC(CNCCN2CCCC2C2CCCC2)C1.
What is the InChIKey of 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is AKEZDHIYVJKHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-6-14(5-1)16-8-3-10-18(16)11-9-17-13-15-7-4-12-19-15/h14-17H,1-13H2.
What are the key properties of 2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine?
2-(2-cyclopentylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 266.43 g/mol, XLogP of 2.41, 6 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)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 62555552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).