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

C15H23N3 — CID 66411058

IUPAC2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine
SMILESCCCCCCn1cc(CCN)c2cccnc21
InChIInChI=1S/C15H23N3/c1-2-3-4-5-11-18-12-13(8-9-16)14-7-6-10-17-15(14)18/h6-7,10,12H,2-5,8-9,11,16H2,1H3
InChIKeyPGMPQMFABSMQLW-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.12
Rot. Bonds7

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

2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine (PubChem CID 66411058) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine
PubChem CID66411058
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine
SMILESCCCCCCn1cc(CCN)c2cccnc21
InChIInChI=1S/C15H23N3/c1-2-3-4-5-11-18-12-13(8-9-16)14-7-6-10-17-15(14)18/h6-7,10,12H,2-5,8-9,11,16H2,1H3
InChIKeyPGMPQMFABSMQLW-UHFFFAOYSA-N
XLogP3.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine?
The IUPAC name of 2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine (CID 66411058) is 2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine.
What is the SMILES notation for 2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine?
The canonical SMILES for 2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine is CCCCCCn1cc(CCN)c2cccnc21.
What is the InChIKey of 2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine?
The InChIKey is PGMPQMFABSMQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-3-4-5-11-18-12-13(8-9-16)14-7-6-10-17-15(14)18/h6-7,10,12H,2-5,8-9,11,16H2,1H3.
What are the key properties of 2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine?
2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine has a molecular weight of 245.37 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine is sourced from PubChem (CID 66411058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).