2-(oxan-2-yloxy)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine

C14H19N3O2 — CID 11379978

IUPAC2-(oxan-2-yloxy)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine
SMILESNCC(OC1CCCCO1)c1cc2cccnc2[nH]1
InChIInChI=1S/C14H19N3O2/c15-9-12(19-13-5-1-2-7-18-13)11-8-10-4-3-6-16-14(10)17-11/h3-4,6,8,12-13H,1-2,5,7,9,15H2,(H,16,17)
InChIKeyFYWQCRLQBOKLJK-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.11
Rot. Bonds4

About 2-(oxan-2-yloxy)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine

2-(oxan-2-yloxy)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine (PubChem CID 11379978) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(oxan-2-yloxy)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(oxan-2-yloxy)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine
PubChem CID11379978
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(oxan-2-yloxy)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine
SMILESNCC(OC1CCCCO1)c1cc2cccnc2[nH]1
InChIInChI=1S/C14H19N3O2/c15-9-12(19-13-5-1-2-7-18-13)11-8-10-4-3-6-16-14(10)17-11/h3-4,6,8,12-13H,1-2,5,7,9,15H2,(H,16,17)
InChIKeyFYWQCRLQBOKLJK-UHFFFAOYSA-N
XLogP2.11
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxy)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine?
The IUPAC name of 2-(oxan-2-yloxy)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine (CID 11379978) is 2-(oxan-2-yloxy)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine.
What is the SMILES notation for 2-(oxan-2-yloxy)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine?
The canonical SMILES for 2-(oxan-2-yloxy)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine is NCC(OC1CCCCO1)c1cc2cccnc2[nH]1.
What is the InChIKey of 2-(oxan-2-yloxy)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine?
The InChIKey is FYWQCRLQBOKLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-9-12(19-13-5-1-2-7-18-13)11-8-10-4-3-6-16-14(10)17-11/h3-4,6,8,12-13H,1-2,5,7,9,15H2,(H,16,17).
What are the key properties of 2-(oxan-2-yloxy)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine?
2-(oxan-2-yloxy)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine has a molecular weight of 261.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxy)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethanamine is sourced from PubChem (CID 11379978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).