Molecule

ID:10419

General Information

Structure

MolImage

Molecular Formula

C₆H₁₅N

Molecular Mass

101.19

Exact Mass

101.12044949

Charge

0

InChI

InChI=1S/C6H15N/c1-6(2)4-5-7-3/h6-7H,4-5H2,1-3H3

InChIKey

QSOCODZVGPDGDA-UHFFFAOYSA-N

Canonic Smiles

CNCCC(C)C

Isomeric Smiles

CC(CCNC)C

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.816933

LogD (pH = 7.4)

-1.4624791

Log P

1.4180397

Molar Refractivity

33.1156

Polarizability

13.342089

Polar Surface Area

12.03

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

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Molecule Details

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References

Bioactivity