Molecule

ID:50171

General Information

Structure

MolImage

Molecular Formula

C₈H₁₅N

Molecular Mass

125.2114

Exact Mass

125.12044949

Charge

0

InChI

InChI=1S/C8H15N/c1-2-7(1)5-8-3-4-9-6-8/h7-9H,1-6H2

InChIKey

QFLJECQUSIEQJK-UHFFFAOYSA-N

Canonic Smiles

C1NCC(C1)CC1CC1

Isomeric Smiles

C1(CC1)CC1CNCC1

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.9508103

LogD (pH = 7.4)

-1.8862268

Log P

1.2903223

Molar Refractivity

38.6544

Polarizability

15.551486

Polar Surface Area

12.03

Rotatable Bonds

2

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