2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine

C14H19N3 — CID 82618895

IUPAC2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine
SMILESNCCC1NCCC1c1c[nH]c2ccccc12
InChIInChI=1S/C14H19N3/c15-7-5-14-11(6-8-16-14)12-9-17-13-4-2-1-3-10(12)13/h1-4,9,11,14,16-17H,5-8,15H2
InChIKeyPZCPXQKHIVCAOF-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.96
Rot. Bonds3

About 2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine

2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine (PubChem CID 82618895) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine
PubChem CID82618895
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine
SMILESNCCC1NCCC1c1c[nH]c2ccccc12
InChIInChI=1S/C14H19N3/c15-7-5-14-11(6-8-16-14)12-9-17-13-4-2-1-3-10(12)13/h1-4,9,11,14,16-17H,5-8,15H2
InChIKeyPZCPXQKHIVCAOF-UHFFFAOYSA-N
XLogP1.96
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,6R)-3-(4-aminobutyl)-6-(1H-indol-3-yl)piperazine-2,5-dione
CID 132562847
3-(3-methylpiperazin-2-yl)-1H-indole
CID 116829242
methane;3-piperidin-4-yl-1H-indole
CID 70444570
4-ethyl-2-(1H-indol-3-yl)cyclohexan-1-amine
CID 112742433
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
(3R,4S)-4-(1H-indol-3-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 15516005
2-(1H-indol-3-yl)-1,3-thiazolidine
CID 3043139
3-(1H-indol-3-yl)cyclopentan-1-amine
CID 22386576
3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
CID 67426458
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
(1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 905885
(5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one
CID 10376523

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine?
The IUPAC name of 2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine (CID 82618895) is 2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine.
What is the SMILES notation for 2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine?
The canonical SMILES for 2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine is NCCC1NCCC1c1c[nH]c2ccccc12.
What is the InChIKey of 2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine?
The InChIKey is PZCPXQKHIVCAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-7-5-14-11(6-8-16-14)12-9-17-13-4-2-1-3-10(12)13/h1-4,9,11,14,16-17H,5-8,15H2.
What are the key properties of 2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine?
2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-indol-3-yl)pyrrolidin-2-yl]ethanamine is sourced from PubChem (CID 82618895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).