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

C15H23N3O — CID 66413024

IUPAC2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESCCCCOCCn1cc(CCN)c2cccnc21
InChIInChI=1S/C15H23N3O/c1-2-3-10-19-11-9-18-12-13(6-7-16)14-5-4-8-17-15(14)18/h4-5,8,12H,2-3,6-7,9-11,16H2,1H3
InChIKeyJIOSRXDSLZVFLR-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.35
Rot. Bonds8

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

2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine (PubChem CID 66413024) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
PubChem CID66413024
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESCCCCOCCn1cc(CCN)c2cccnc21
InChIInChI=1S/C15H23N3O/c1-2-3-10-19-11-9-18-12-13(6-7-16)14-5-4-8-17-15(14)18/h4-5,8,12H,2-3,6-7,9-11,16H2,1H3
InChIKeyJIOSRXDSLZVFLR-UHFFFAOYSA-N
XLogP2.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 66411058
2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66412425
[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66414725
(1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66415692
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 103015076
2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 171106231
2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 115518332
1-[1-(4-butoxybutyl)pyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 141421133
5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile
CID 66412628
1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
CID 66410681
butyl 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]acetate
CID 66415107
2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66413022

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine (CID 66413024) is 2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine is CCCCOCCn1cc(CCN)c2cccnc21.
What is the InChIKey of 2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The InChIKey is JIOSRXDSLZVFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-3-10-19-11-9-18-12-13(6-7-16)14-5-4-8-17-15(14)18/h4-5,8,12H,2-3,6-7,9-11,16H2,1H3.
What are the key properties of 2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine has a molecular weight of 261.37 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 66413024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).