1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine

C18H21N3 — CID 66405858

IUPAC1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine
SMILESCCC(N)Cc1cn(Cc2ccccn2)c2ccccc12
InChIInChI=1S/C18H21N3/c1-2-15(19)11-14-12-21(13-16-7-5-6-10-20-16)18-9-4-3-8-17(14)18/h3-10,12,15H,2,11,13,19H2,1H3
InChIKeyXYLXFRRFLQVBBY-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.36
Rot. Bonds5

About 1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine

1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine (PubChem CID 66405858) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine
PubChem CID66405858
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine
SMILESCCC(N)Cc1cn(Cc2ccccn2)c2ccccc12
InChIInChI=1S/C18H21N3/c1-2-15(19)11-14-12-21(13-16-7-5-6-10-20-16)18-9-4-3-8-17(14)18/h3-10,12,15H,2,11,13,19H2,1H3
InChIKeyXYLXFRRFLQVBBY-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine?
The IUPAC name of 1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine (CID 66405858) is 1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine?
The canonical SMILES for 1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine is CCC(N)Cc1cn(Cc2ccccn2)c2ccccc12.
What is the InChIKey of 1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine?
The InChIKey is XYLXFRRFLQVBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-15(19)11-14-12-21(13-16-7-5-6-10-20-16)18-9-4-3-8-17(14)18/h3-10,12,15H,2,11,13,19H2,1H3.
What are the key properties of 1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine?
1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine has a molecular weight of 279.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine is sourced from PubChem (CID 66405858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).