2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine

C18H21N3 — CID 166911834

IUPAC2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine
SMILESCCCn1cc(CCN)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C18H21N3/c1-2-11-21-13-16(5-8-19)17-4-3-15(12-18(17)21)14-6-9-20-10-7-14/h3-4,6-7,9-10,12-13H,2,5,8,11,19H2,1H3
InChIKeyPKAOZEWSXSAKGL-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.61
Rot. Bonds5

About 2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine

2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine (PubChem CID 166911834) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine
PubChem CID166911834
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine
SMILESCCCn1cc(CCN)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C18H21N3/c1-2-11-21-13-16(5-8-19)17-4-3-15(12-18(17)21)14-6-9-20-10-7-14/h3-4,6-7,9-10,12-13H,2,5,8,11,19H2,1H3
InChIKeyPKAOZEWSXSAKGL-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine?
The IUPAC name of 2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine (CID 166911834) is 2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine.
What is the SMILES notation for 2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine?
The canonical SMILES for 2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine is CCCn1cc(CCN)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine?
The InChIKey is PKAOZEWSXSAKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-11-21-13-16(5-8-19)17-4-3-15(12-18(17)21)14-6-9-20-10-7-14/h3-4,6-7,9-10,12-13H,2,5,8,11,19H2,1H3.
What are the key properties of 2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine?
2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine has a molecular weight of 279.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propyl-6-pyridin-4-ylindol-3-yl)ethanamine is sourced from PubChem (CID 166911834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).