(1R,2S,3S,5R,6S,7S)-2-(1,2-dimethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-amine|2-(1,2-dimethylindol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1<sup>3</sup>,<sup>7</sup>]decan-6-amine|2-...

General Information

Structure

Molecular Formula

C₂₀H₂₈N₄

Molecular Mass

324.46312

Exact Mass

324.23139692

Charge

InChI

InChI=1S/C20H28N4/c1-13-16(14-7-5-6-8-15(14)22(13)4)17-23-9-19(2)10-24(17)12-20(3,11-23)18(19)21/h5-8,17-18H,9-12,21H2,1-4H3

InChIKey

CUHPYVYJLCCGIY-UHFFFAOYSA-N

Canonic Smiles

NC1C2(C)CN3CC1(C)CN(C2)C3c1c(C)n(c2c1cccc2)C

Isomeric Smiles

c1(c(n(c2c1cccc2)C)C)C1N2CC3(C(C(CN1C3)(C2)C)N)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.1465322

LogD (pH = 7.4)

0.07157527

Log P

2.4113045

Molar Refractivity

98.4175

Polarizability

39.938076

Polar Surface Area

37.43

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(1R,2S,3S,5R,6S,7S)-2-(1,2-dimethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazaadamantan-6-amine

IUPAC Traditional name

2-(1,2-dimethylindol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1³,⁷]decan-6-amine

IUPAC name

2-(1,2-dimethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1³,⁷]decan-6-amine

Names and Identifiers

Registration numbers

PubChem CID

17571606

PubChem SID

162216980

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:122627