2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine

C16H23N3O — CID 66411455

IUPAC2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESNCCc1cn(CCCC2CCCO2)c2ncccc12
InChIInChI=1S/C16H23N3O/c17-8-7-13-12-19(16-15(13)6-1-9-18-16)10-2-4-14-5-3-11-20-14/h1,6,9,12,14H,2-5,7-8,10-11,17H2
InChIKeyQHTRFFDKFZQTTG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.50
Rot. Bonds6

About 2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine

2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine (PubChem CID 66411455) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
PubChem CID66411455
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESNCCc1cn(CCCC2CCCO2)c2ncccc12
InChIInChI=1S/C16H23N3O/c17-8-7-13-12-19(16-15(13)6-1-9-18-16)10-2-4-14-5-3-11-20-14/h1,6,9,12,14H,2-5,7-8,10-11,17H2
InChIKeyQHTRFFDKFZQTTG-UHFFFAOYSA-N
XLogP2.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66415489
1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
CID 66412633
2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 66411058
2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 115518332
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 103015076
2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66412425
2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66413024
3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine
CID 11843028
5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile
CID 66412628
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine
CID 65165521
2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 112615284
[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416272

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine (CID 66411455) is 2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine is NCCc1cn(CCCC2CCCO2)c2ncccc12.
What is the InChIKey of 2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The InChIKey is QHTRFFDKFZQTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-8-7-13-12-19(16-15(13)6-1-9-18-16)10-2-4-14-5-3-11-20-14/h1,6,9,12,14H,2-5,7-8,10-11,17H2.
What are the key properties of 2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 66411455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).