2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine

C11H22N2O — CID 73440123

IUPAC2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine
SMILESNCCC1CCCN1C1CCOCC1
InChIInChI=1S/C11H22N2O/c12-6-3-10-2-1-7-13(10)11-4-8-14-9-5-11/h10-11H,1-9,12H2
InChIKeyQPHWYGSKHDWQDG-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds3

About 2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine

2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine (PubChem CID 73440123) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine
PubChem CID73440123
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine
SMILESNCCC1CCCN1C1CCOCC1
InChIInChI=1S/C11H22N2O/c12-6-3-10-2-1-7-13(10)11-4-8-14-9-5-11/h10-11H,1-9,12H2
InChIKeyQPHWYGSKHDWQDG-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine?
The IUPAC name of 2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine (CID 73440123) is 2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine is NCCC1CCCN1C1CCOCC1.
What is the InChIKey of 2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine?
The InChIKey is QPHWYGSKHDWQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c12-6-3-10-2-1-7-13(10)11-4-8-14-9-5-11/h10-11H,1-9,12H2.
What are the key properties of 2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine?
2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine has a molecular weight of 198.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-yl)pyrrolidin-2-yl]ethanamine is sourced from PubChem (CID 73440123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).