5-(aminomethyl)-4-(methoxymethyl)-2-methylpyridin-3-amine dihydrochloride|5-(aminomethyl)-4-(methoxymethyl)-2-methylpyridin-3-amine dihydrochloride|5-(aminomethyl)-4-(methoxymethyl)-2-methylpyridin-...

General Information

Structure

Molecular Formula

C₉H₁₇Cl₂N₃O

Molecular Mass

254.15678

Exact Mass

253.07486754

Charge

InChI

InChI=1S/C9H15N3O.2ClH/c1-6-9(11)8(5-13-2)7(3-10)4-12-6;;/h4H,3,5,10-11H2,1-2H3;2*1H

InChIKey

WHBVCXDIJIMUHC-UHFFFAOYSA-N

Canonic Smiles

COCc1c(CN)cnc(c1N)C.Cl.Cl

Isomeric Smiles

c1(c(c(ncc1CN)C)N)COC.Cl.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-3.9181695

LogD (pH = 7.4)

-2.7523656

Log P

-0.9404372

Molar Refractivity

53.2335

Polarizability

20.06678

Polar Surface Area

74.16

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

5-(aminomethyl)-4-(methoxymethyl)-2-methylpyridin-3-amine dihydrochloride

IUPAC Traditional name

5-(aminomethyl)-4-(methoxymethyl)-2-methylpyridin-3-amine dihydrochloride

IUPAC name

5-(aminomethyl)-4-(methoxymethyl)-2-methylpyridin-3-amine dihydrochloride

Names and Identifiers

Registration numbers

PubChem SID

162216258

PubChem CID

51051858

Registration numbers

Properties

Product Information

Salt Data

2 HCl

Classification

Derivatives & analogs of Natural Compounds

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:121905