Molecule

ID:64037

General Information

Structure

Molecular Formula

C₆H₁₄N₂

Molecular Mass

114.18876

Exact Mass

114.11569846

Charge

0

InChI

InChI=1S/C6H14N2/c1-6(8(2)3)4-7-5-6/h7H,4-5H2,1-3H3

InChIKey

ZUGCXQDQYRDQTR-UHFFFAOYSA-N

Canonic Smiles

CN(C1(C)CNC1)C

Isomeric Smiles

CC1(CNC1)N(C)C

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-3.19937

LogD (pH = 7.4)

-2.1301146

Log P

-0.005415154

Molar Refractivity

35.0519

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

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity