Molecule

ID:59160

General Information

Structure

MolImage

Molecular Formula

C₆H₁₆N₂

Molecular Mass

116.20464

Exact Mass

116.13134852

Charge

0

InChI

InChI=1S/C6H16N2/c1-3-8(2)6-4-5-7/h3-7H2,1-2H3

InChIKey

FRVNYRKFLIOCNF-UHFFFAOYSA-N

Canonic Smiles

NCCCN(CC)C

Isomeric Smiles

N(CCCN)(CC)C

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-6.2625036

LogD (pH = 7.4)

-4.178445

Log P

-0.19004665

Molar Refractivity

37.5519

Polarizability

14.858968

Polar Surface Area

29.26

Rotatable Bonds

4

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity