Molecule

ID:29617

General Information

Structure

MolImage

Molecular Formula

C₆H₁₅N

Molecular Mass

101.19

Exact Mass

101.12044949

Charge

0

InChI

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

InChIKey

KFYKZKISJBGVMR-UHFFFAOYSA-N

Canonic Smiles

CCNC(CC)C

Isomeric Smiles

N(C(CC)C)CC

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.7778096

LogD (pH = 7.4)

-1.5258925

Log P

1.4598348

Molar Refractivity

33.1334

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