Molecule

ID:116967

General Information

Structure

MolImage

Molecular Formula

C₁₀H₂₂N₂

Molecular Mass

170.29508

Exact Mass

170.17829871

Charge

0

InChI

InChI=1S/C10H22N2/c1-4-12-6-5-11-10(8-12)7-9(2)3/h9-11H,4-8H2,1-3H3

InChIKey

MLJYKYZXSWKEGP-UHFFFAOYSA-N

Canonic Smiles

CCN1CCNC(C1)CC(C)C

Isomeric Smiles

N1(CC(NCC1)CC(C)C)CC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-1.8852061

LogD (pH = 7.4)

-0.6021532

Log P

1.6817342

Molar Refractivity

53.5845

Polarizability

21.50448

Polar Surface Area

15.27

Rotatable Bonds

3

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