2-[3-(2,2-dimethylpropyl)-5-pyridin-3-ylindol-1-yl]ethanamine

C20H25N3 — CID 166912236

IUPAC2-[3-(2,2-dimethylpropyl)-5-pyridin-3-ylindol-1-yl]ethanamine
SMILESCC(C)(C)Cc1cn(CCN)c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C20H25N3/c1-20(2,3)12-17-14-23(10-8-21)19-7-6-15(11-18(17)19)16-5-4-9-22-13-16/h4-7,9,11,13-14H,8,10,12,21H2,1-3H3
InChIKeyNZKNXBATIFGVFY-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.25
Rot. Bonds4

About 2-[3-(2,2-dimethylpropyl)-5-pyridin-3-ylindol-1-yl]ethanamine

2-[3-(2,2-dimethylpropyl)-5-pyridin-3-ylindol-1-yl]ethanamine (PubChem CID 166912236) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropyl)-5-pyridin-3-ylindol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropyl)-5-pyridin-3-ylindol-1-yl]ethanamine
PubChem CID166912236
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name2-[3-(2,2-dimethylpropyl)-5-pyridin-3-ylindol-1-yl]ethanamine
SMILESCC(C)(C)Cc1cn(CCN)c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C20H25N3/c1-20(2,3)12-17-14-23(10-8-21)19-7-6-15(11-18(17)19)16-5-4-9-22-13-16/h4-7,9,11,13-14H,8,10,12,21H2,1-3H3
InChIKeyNZKNXBATIFGVFY-UHFFFAOYSA-N
XLogP4.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropyl)-5-pyridin-3-ylindol-1-yl]ethanamine?
The IUPAC name of 2-[3-(2,2-dimethylpropyl)-5-pyridin-3-ylindol-1-yl]ethanamine (CID 166912236) is 2-[3-(2,2-dimethylpropyl)-5-pyridin-3-ylindol-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(2,2-dimethylpropyl)-5-pyridin-3-ylindol-1-yl]ethanamine?
The canonical SMILES for 2-[3-(2,2-dimethylpropyl)-5-pyridin-3-ylindol-1-yl]ethanamine is CC(C)(C)Cc1cn(CCN)c2ccc(-c3cccnc3)cc12.
What is the InChIKey of 2-[3-(2,2-dimethylpropyl)-5-pyridin-3-ylindol-1-yl]ethanamine?
The InChIKey is NZKNXBATIFGVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-20(2,3)12-17-14-23(10-8-21)19-7-6-15(11-18(17)19)16-5-4-9-22-13-16/h4-7,9,11,13-14H,8,10,12,21H2,1-3H3.
What are the key properties of 2-[3-(2,2-dimethylpropyl)-5-pyridin-3-ylindol-1-yl]ethanamine?
2-[3-(2,2-dimethylpropyl)-5-pyridin-3-ylindol-1-yl]ethanamine has a molecular weight of 307.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropyl)-5-pyridin-3-ylindol-1-yl]ethanamine is sourced from PubChem (CID 166912236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).