Molecule

ID:29616

General Information

Structure

Molecular Formula

C₈H₁₉N

Molecular Mass

129.24316

Exact Mass

129.15174961

Charge

0

InChI

InChI=1S/C8H19N/c1-4-6-7-9-8(3)5-2/h8-9H,4-7H2,1-3H3

InChIKey

MWZXRLJDNKCYOQ-UHFFFAOYSA-N

Canonic Smiles

CCCCNC(CC)C

Isomeric Smiles

N(C(CC)C)CCCC

Calculated Properties

JChem

Polar Surface Area

12.03

Rotatable Bonds

5

Lipinski's Rule of Five

true

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.8116236

LogD (pH = 7.4)

-0.60095537

Log P

2.426926

Molar Refractivity

42.2584

Polarizability

17.036163

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