4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine

C15H28N2O — CID 66247758

IUPAC4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine
SMILESCNC1COCC1CN1CCCC1C1CCCC1
InChIInChI=1S/C15H28N2O/c1-16-14-11-18-10-13(14)9-17-8-4-7-15(17)12-5-2-3-6-12/h12-16H,2-11H2,1H3
InChIKeyGCUHEFLOKKSTNT-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.88
Rot. Bonds4

About 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine

4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine (PubChem CID 66247758) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine
PubChem CID66247758
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine
SMILESCNC1COCC1CN1CCCC1C1CCCC1
InChIInChI=1S/C15H28N2O/c1-16-14-11-18-10-13(14)9-17-8-4-7-15(17)12-5-2-3-6-12/h12-16H,2-11H2,1H3
InChIKeyGCUHEFLOKKSTNT-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine?
The IUPAC name of 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine (CID 66247758) is 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine?
The canonical SMILES for 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine is CNC1COCC1CN1CCCC1C1CCCC1.
What is the InChIKey of 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine?
The InChIKey is GCUHEFLOKKSTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-16-14-11-18-10-13(14)9-17-8-4-7-15(17)12-5-2-3-6-12/h12-16H,2-11H2,1H3.
What are the key properties of 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine?
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine has a molecular weight of 252.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 66247758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).