2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine

C9H20N2O — CID 118883337

IUPAC2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine
SMILESCC(CN1CCCC1)OCCN
InChIInChI=1S/C9H20N2O/c1-9(12-7-4-10)8-11-5-2-3-6-11/h9H,2-8,10H2,1H3
InChIKeyWUABHFXJFMFWJD-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.45
Rot. Bonds5

About 2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine

2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine (PubChem CID 118883337) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine
PubChem CID118883337
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine
SMILESCC(CN1CCCC1)OCCN
InChIInChI=1S/C9H20N2O/c1-9(12-7-4-10)8-11-5-2-3-6-11/h9H,2-8,10H2,1H3
InChIKeyWUABHFXJFMFWJD-UHFFFAOYSA-N
XLogP0.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine?
The IUPAC name of 2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine (CID 118883337) is 2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine.
What is the SMILES notation for 2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine?
The canonical SMILES for 2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine is CC(CN1CCCC1)OCCN.
What is the InChIKey of 2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine?
The InChIKey is WUABHFXJFMFWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(12-7-4-10)8-11-5-2-3-6-11/h9H,2-8,10H2,1H3.
What are the key properties of 2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine?
2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrrolidin-1-ylpropan-2-yloxy)ethanamine is sourced from PubChem (CID 118883337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).