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

General Information

Structure

Molecular Formula

C₁₉H₂₆N₄

Molecular Mass

310.43654

Exact Mass

310.21574685

Charge

InChI

InChI=1S/C19H26N4/c1-18-9-22-11-19(2,17(18)20)12-23(10-18)16(22)14-8-21(3)15-7-5-4-6-13(14)15/h4-8,16-17H,9-12,20H2,1-3H3

InChIKey

MPADLVHLFLIBKM-UHFFFAOYSA-N

Canonic Smiles

NC1C2(C)CN3CC1(C)CN(C2)C3c1cn(c2c1cccc2)C

Isomeric Smiles

c1(C2N3CC4(C(C(CN2C4)(C3)C)N)C)cn(c2c1cccc2)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.2136934

LogD (pH = 7.4)

-0.12272514

Log P

2.211743

Molar Refractivity

93.2678

Polarizability

38.174194

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

IUPAC name

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

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

PubChem SID

162216979

PubChem CID

17571605

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:122626