6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine

C20H31N3O — CID 67698077

IUPAC6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine
SMILESCC(c1c[nH]c2ccc(OCCCCCCN)cc12)C1CCCN1
InChIInChI=1S/C20H31N3O/c1-15(19-7-6-11-22-19)18-14-23-20-9-8-16(13-17(18)20)24-12-5-3-2-4-10-21/h8-9,13-15,19,22-23H,2-7,10-12,21H2,1H3
InChIKeyUXWVLYNJPIKCCI-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.92
Rot. Bonds9

About 6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine

6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine (PubChem CID 67698077) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine.

Molecular Properties

Compound Name6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine
PubChem CID67698077
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine
SMILESCC(c1c[nH]c2ccc(OCCCCCCN)cc12)C1CCCN1
InChIInChI=1S/C20H31N3O/c1-15(19-7-6-11-22-19)18-14-23-20-9-8-16(13-17(18)20)24-12-5-3-2-4-10-21/h8-9,13-15,19,22-23H,2-7,10-12,21H2,1H3
InChIKeyUXWVLYNJPIKCCI-UHFFFAOYSA-N
XLogP3.92
TPSA63.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-(1-pyrrolidin-2-ylethyl)-1H-indole
CID 18694425
[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]thiourea
CID 57074587
5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine
CID 15341730
2-(5-fluoro-1H-indol-3-yl)-2-piperidin-2-ylethanamine
CID 83987551
2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
CID 15342178
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
2-(5-methoxy-1H-indol-3-yl)-2-(thian-4-yl)ethanamine
CID 83976595
(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride
CID 171219271
2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride
CID 134155855
benzyl 2-(5-bromo-1H-indol-3-yl)-2-[(2R)-pyrrolidin-2-yl]acetate
CID 67692456
2-[3-[[3-[hydroxy-(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]oxy]propyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 177026527

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine?
The IUPAC name of 6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine (CID 67698077) is 6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine.
What is the SMILES notation for 6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine?
The canonical SMILES for 6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine is CC(c1c[nH]c2ccc(OCCCCCCN)cc12)C1CCCN1.
What is the InChIKey of 6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine?
The InChIKey is UXWVLYNJPIKCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-15(19-7-6-11-22-19)18-14-23-20-9-8-16(13-17(18)20)24-12-5-3-2-4-10-21/h8-9,13-15,19,22-23H,2-7,10-12,21H2,1H3.
What are the key properties of 6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine?
6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine has a molecular weight of 329.49 g/mol, XLogP of 3.92, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(1-pyrrolidin-2-ylethyl)-1H-indol-5-yl]oxy]hexan-1-amine is sourced from PubChem (CID 67698077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).