1-[2-(oxan-4-yl)ethyl]pyrrolidin-3-amine

C11H22N2O — CID 130542282

IUPAC1-[2-(oxan-4-yl)ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCC2CCOCC2)C1
InChIInChI=1S/C11H22N2O/c12-11-2-6-13(9-11)5-1-10-3-7-14-8-4-10/h10-11H,1-9,12H2
InChIKeyYRYQFBRKFJVWSI-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.84
Rot. Bonds3

About 1-[2-(oxan-4-yl)ethyl]pyrrolidin-3-amine

1-[2-(oxan-4-yl)ethyl]pyrrolidin-3-amine (PubChem CID 130542282) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[2-(oxan-4-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(oxan-4-yl)ethyl]pyrrolidin-3-amine
PubChem CID130542282
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[2-(oxan-4-yl)ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCC2CCOCC2)C1
InChIInChI=1S/C11H22N2O/c12-11-2-6-13(9-11)5-1-10-3-7-14-8-4-10/h10-11H,1-9,12H2
InChIKeyYRYQFBRKFJVWSI-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-(oxan-4-yl)ethyl]pyrrolidin-3-amine (CID 130542282) is 1-[2-(oxan-4-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(oxan-4-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-(oxan-4-yl)ethyl]pyrrolidin-3-amine is NC1CCN(CCC2CCOCC2)C1.
What is the InChIKey of 1-[2-(oxan-4-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is YRYQFBRKFJVWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c12-11-2-6-13(9-11)5-1-10-3-7-14-8-4-10/h10-11H,1-9,12H2.
What are the key properties of 1-[2-(oxan-4-yl)ethyl]pyrrolidin-3-amine?
1-[2-(oxan-4-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 130542282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).