Molecule

ID:58151

General Information

Structure

Molecular Formula

C₁₀H₂₀N₂

Molecular Mass

168.2792

Exact Mass

168.16264865

Charge

0

InChI

InChI=1S/C10H20N2/c1-2-12-7-4-10(5-8-12)3-6-11-9-10/h11H,2-9H2,1H3

InChIKey

LBJYTUPXMFMNOK-UHFFFAOYSA-N

Canonic Smiles

CCN1CCC2(CC1)CNCC2

Isomeric Smiles

C12(CCNC1)CCN(CC2)CC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-6.1477575

LogD (pH = 7.4)

-5.177559

Log P

0.5558043

Molar Refractivity

52.3776

Polarizability

20.7646

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

No Data Available

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Molecule Details

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References

Bioactivity