Molecule

ID:10708

General Information

Structure

MolImage

Molecular Formula

C₆H₁₅N

Molecular Mass

101.19

Exact Mass

101.12044949

Charge

0

InChI

InChI=1S/C6H15N/c1-6(2,3)7(4)5/h1-5H3

InChIKey

OXQMIXBVXHWDPX-UHFFFAOYSA-N

Canonic Smiles

CN(C(C)(C)C)C

Isomeric Smiles

N(C(C)(C)C)(C)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

-2.2326891

LogD (pH = 7.4)

-1.5077013

Log P

1.2441291

Molar Refractivity

33.7937

Polarizability

13.342089

Polar Surface Area

3.24

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