3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine

C15H30N2O — CID 62562918

IUPAC3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCN1CCCC1C1CCCC1
InChIInChI=1S/C15H30N2O/c1-18-13-10-16-9-5-12-17-11-4-8-15(17)14-6-2-3-7-14/h14-16H,2-13H2,1H3
InChIKeyXPGLYUPXZGMHEK-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds8

About 3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine

3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62562918) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID62562918
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCN1CCCC1C1CCCC1
InChIInChI=1S/C15H30N2O/c1-18-13-10-16-9-5-12-17-11-4-8-15(17)14-6-2-3-7-14/h14-16H,2-13H2,1H3
InChIKeyXPGLYUPXZGMHEK-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
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 3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine (CID 62562918) is 3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine is COCCNCCCN1CCCC1C1CCCC1.
What is the InChIKey of 3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is XPGLYUPXZGMHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-18-13-10-16-9-5-12-17-11-4-8-15(17)14-6-2-3-7-14/h14-16H,2-13H2,1H3.
What are the key properties of 3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine?
3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylpyrrolidin-1-yl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62562918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).