2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine

C11H17N3 — CID 83618668

IUPAC2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine
SMILESNCCC1CCN(c2ccncc2)C1
InChIInChI=1S/C11H17N3/c12-5-1-10-4-8-14(9-10)11-2-6-13-7-3-11/h2-3,6-7,10H,1,4-5,8-9,12H2
InChIKeyVYMHGBIANUYENC-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.26
Rot. Bonds3

About 2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine

2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine (PubChem CID 83618668) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine
PubChem CID83618668
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine
SMILESNCCC1CCN(c2ccncc2)C1
InChIInChI=1S/C11H17N3/c12-5-1-10-4-8-14(9-10)11-2-6-13-7-3-11/h2-3,6-7,10H,1,4-5,8-9,12H2
InChIKeyVYMHGBIANUYENC-UHFFFAOYSA-N
XLogP1.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine (CID 83618668) is 2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine is NCCC1CCN(c2ccncc2)C1.
What is the InChIKey of 2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine?
The InChIKey is VYMHGBIANUYENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-5-1-10-4-8-14(9-10)11-2-6-13-7-3-11/h2-3,6-7,10H,1,4-5,8-9,12H2.
What are the key properties of 2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine?
2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine has a molecular weight of 191.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 83618668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).