(5's,7's)-5',7'-dimethyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1<sup>3</sup>,<sup>7</sup>]decane]-6'-one|(5s,7s)-5,7-dimethyl-1,3-diazaspiro[adamantane-2,1'-cyclohexan]-6-one|(5's,7's)-5'...

General Information

Structure

Molecular Formula

C₁₅H₂₄N₂O

Molecular Mass

248.36386

Exact Mass

248.1888634

Charge

InChI

InChI=1S/C15H24N2O/c1-13-8-16-10-14(2,12(13)18)11-17(9-13)15(16)6-4-3-5-7-15/h3-11H2,1-2H3/t13-,14+

InChIKey

CMGPXQNXFMPPFA-OKILXGFUSA-N

Canonic Smiles

O=C1[C@]2(C)CN3C[C@@]1(C)CN(C2)C13CCCCC1

Isomeric Smiles

[C@]12(C(=O)[C@@]3(CN(C4(N(C1)C3)CCCCC4)C2)C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.66011304

LogD (pH = 7.4)

2.3310642

Log P

2.707676

Molar Refractivity

72.0704

Polarizability

28.568222

Polar Surface Area

23.55

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

(5's,7's)-5',7'-dimethyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1³,⁷]decane]-6'-one

Synonyms

(5s,7s)-5,7-dimethyl-1,3-diazaspiro[adamantane-2,1'-cyclohexan]-6-one

IUPAC name

(5's,7's)-5',7'-dimethyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1³,⁷]decane]-6'-one

Names and Identifiers

Registration numbers

PubChem SID

162107376

PubChem CID

689311

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:119012