Molecule

ID:64047

General Information

Structure

MolImage

Molecular Formula

C₆H₁₄N₂

Molecular Mass

114.18876

Exact Mass

114.11569846

Charge

0

InChI

InChI=1S/C6H14N2/c1-7-6-3-4-8(2)5-6/h6-7H,3-5H2,1-2H3

InChIKey

CZGIEJXGCLWRPY-UHFFFAOYSA-N

Canonic Smiles

CNC1CCN(C1)C

Isomeric Smiles

C1(NC)CCN(C)C1

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-4.644588

LogD (pH = 7.4)

-2.8522115

Log P

-0.22603208

Molar Refractivity

35.2791

Polarizability

14.118806

Polar Surface Area

15.27

Rotatable Bonds

1

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