2-[5-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexoxy]-1H-indol-3-yl]ethanamine

C26H34N4O2 — CID 10836606

IUPAC2-[5-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexoxy]-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(OCCCCCCOc3ccc4[nH]cc(CCN)c4c3)cc12
InChIInChI=1S/C26H34N4O2/c27-11-9-19-17-29-25-7-5-21(15-23(19)25)31-13-3-1-2-4-14-32-22-6-8-26-24(16-22)20(10-12-28)18-30-26/h5-8,15-18,29-30H,1-4,9-14,27-28H2
InChIKeyKKDGSWZZEGKXRP-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.67
Rot. Bonds13

About 2-[5-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexoxy]-1H-indol-3-yl]ethanamine

2-[5-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexoxy]-1H-indol-3-yl]ethanamine (PubChem CID 10836606) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-[5-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexoxy]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexoxy]-1H-indol-3-yl]ethanamine
PubChem CID10836606
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name2-[5-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexoxy]-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(OCCCCCCOc3ccc4[nH]cc(CCN)c4c3)cc12
InChIInChI=1S/C26H34N4O2/c27-11-9-19-17-29-25-7-5-21(15-23(19)25)31-13-3-1-2-4-14-32-22-6-8-26-24(16-22)20(10-12-28)18-30-26/h5-8,15-18,29-30H,1-4,9-14,27-28H2
InChIKeyKKDGSWZZEGKXRP-UHFFFAOYSA-N
XLogP4.67
TPSA102.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexoxy]-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexoxy]-1H-indol-3-yl]ethanamine (CID 10836606) is 2-[5-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexoxy]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexoxy]-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexoxy]-1H-indol-3-yl]ethanamine is NCCc1c[nH]c2ccc(OCCCCCCOc3ccc4[nH]cc(CCN)c4c3)cc12.
What is the InChIKey of 2-[5-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexoxy]-1H-indol-3-yl]ethanamine?
The InChIKey is KKDGSWZZEGKXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c27-11-9-19-17-29-25-7-5-21(15-23(19)25)31-13-3-1-2-4-14-32-22-6-8-26-24(16-22)20(10-12-28)18-30-26/h5-8,15-18,29-30H,1-4,9-14,27-28H2.
What are the key properties of 2-[5-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexoxy]-1H-indol-3-yl]ethanamine?
2-[5-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexoxy]-1H-indol-3-yl]ethanamine has a molecular weight of 434.58 g/mol, XLogP of 4.67, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]hexoxy]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10836606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).