3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindol-3-amine

C15H21N3 — CID 66912701

IUPAC3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindol-3-amine
SMILESNC1(C2CN3CCC2CC3)CNc2ccccc21
InChIInChI=1S/C15H21N3/c16-15(10-17-14-4-2-1-3-12(14)15)13-9-18-7-5-11(13)6-8-18/h1-4,11,13,17H,5-10,16H2
InChIKeyUGSGRSFUWQTGSR-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.61
Rot. Bonds1

About 3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindol-3-amine

3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindol-3-amine (PubChem CID 66912701) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindol-3-amine.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindol-3-amine
PubChem CID66912701
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindol-3-amine
SMILESNC1(C2CN3CCC2CC3)CNc2ccccc21
InChIInChI=1S/C15H21N3/c16-15(10-17-14-4-2-1-3-12(14)15)13-9-18-7-5-11(13)6-8-18/h1-4,11,13,17H,5-10,16H2
InChIKeyUGSGRSFUWQTGSR-UHFFFAOYSA-N
XLogP1.61
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 20824945
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CID 44397846
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CID 71461603
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Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindol-3-amine?
The IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindol-3-amine (CID 66912701) is 3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindol-3-amine.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindol-3-amine?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindol-3-amine is NC1(C2CN3CCC2CC3)CNc2ccccc21.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindol-3-amine?
The InChIKey is UGSGRSFUWQTGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-15(10-17-14-4-2-1-3-12(14)15)13-9-18-7-5-11(13)6-8-18/h1-4,11,13,17H,5-10,16H2.
What are the key properties of 3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindol-3-amine?
3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindol-3-amine has a molecular weight of 243.35 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindol-3-amine is sourced from PubChem (CID 66912701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).