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

General Information

Structure

Molecular Formula

C₁₆H₂₃N₃

Molecular Mass

257.37392

Exact Mass

257.18919775

Charge

InChI

InChI=1S/C16H23N3/c1-15-8-18-10-16(2,14(15)17)11-19(9-15)13(18)12-6-4-3-5-7-12/h3-7,13-14H,8-11,17H2,1-2H3

InChIKey

YWGYWZBYBCHDOX-UHFFFAOYSA-N

Canonic Smiles

NC1C2(C)CN3CC1(C)CN(C2)C3c1ccccc1

Isomeric Smiles

C12(C(C3(CN(C(N(C1)C3)c1ccccc1)C2)C)N)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.4025474

LogD (pH = 7.4)

-0.44121483

Log P

1.8893051

Molar Refractivity

77.2846

Polarizability

31.172365

Polar Surface Area

32.5

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

5,7-dimethyl-2-phenyl-1,3-diazatricyclo[3.3.1.1³,⁷]decan-6-amine

IUPAC name

5,7-dimethyl-2-phenyl-1,3-diazatricyclo[3.3.1.1³,⁷]decan-6-amine

Synonyms

(1R,2S,3S,5R,6S,7S)-5,7-dimethyl-2-phenyl-1,3-diazaadamantan-6-amine

Names and Identifiers

Registration numbers

PubChem CID

16394964

PubChem SID

162216843

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:122490