Molecule

ID:58153

General Information

Structure

MolImage

Molecular Formula

C₈H₁₅N

Molecular Mass

125.2114

Exact Mass

125.12044949

Charge

0

InChI

InChI=1S/C8H15N/c1-2-4-8(3-1)5-6-9-7-8/h9H,1-7H2

InChIKey

NINJAJLCZUYDGV-UHFFFAOYSA-N

Canonic Smiles

C1CCC2(C1)CCNC2

Isomeric Smiles

C12(CCCC1)CNCC2

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.8595142

LogD (pH = 7.4)

-1.7742351

Log P

1.3813041

Molar Refractivity

38.5039

Polarizability

15.551486

Polar Surface Area

12.03

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity