Molecule

ID:10420

General Information

Structure

MolImage

Molecular Formula

C₇H₁₈N₂

Molecular Mass

130.23122

Exact Mass

130.14699859

Charge

0

InChI

InChI=1S/C7H18N2/c1-9(2)7-5-3-4-6-8/h3-8H2,1-2H3

InChIKey

ZQEQANWXEQSAGL-UHFFFAOYSA-N

Canonic Smiles

NCCCCCN(C)C

Isomeric Smiles

N(CCCCCN)(C)C

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-6.0448785

LogD (pH = 7.4)

-4.5486603

Log P

0.41507673

Molar Refractivity

42.0489

Polarizability

16.705751

Polar Surface Area

29.26

Rotatable Bonds

5

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