(1R,5S)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol|1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol|1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

General Information

Structure

Molecular Formula

C₉H₁₈N₂O

Molecular Mass

170.25202

Exact Mass

170.14191321

Charge

InChI

InChI=1S/C9H18N2O/c1-8-3-10-5-9(2,7(8)12)6-11-4-8/h7,10-12H,3-6H2,1-2H3

InChIKey

BOGILKOPDDCGBY-UHFFFAOYSA-N

Canonic Smiles

OC1C2(C)CNCC1(C)CNC2

Isomeric Smiles

C12(C(C(CNC2)(CNC1)C)O)C

Calculated Properties

JChem

Acid pKa

14.171893

H Acceptors

H Donor

LogD (pH = 5.5)

-5.933348

LogD (pH = 7.4)

-3.552607

Log P

-0.6487352

Molar Refractivity

47.6565

Polarizability

19.520456

Polar Surface Area

44.29

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(1R,5S)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

IUPAC name

1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

IUPAC Traditional name

1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol

Names and Identifiers

Registration numbers

PubChem SID

162216865

PubChem CID

869035

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:122512