CAS 84725-48-4|2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine|2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine|2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine|1,1-Dimethyl-2-(4-methyl-piperazi...

General Information

Structure

Molecular Formula

C₉H₂₁N₃

Molecular Mass

171.28314

Exact Mass

171.17354769

Charge

InChI

InChI=1S/C9H21N3/c1-9(2,10)8-12-6-4-11(3)5-7-12/h4-8,10H2,1-3H3

InChIKey

GBADJQGJTQQHGC-UHFFFAOYSA-N

Canonic Smiles

CN1CCN(CC1)CC(N)(C)C

Isomeric Smiles

C(CN1CCN(CC1)C)(C)(C)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-5.464765

LogD (pH = 7.4)

-3.0654867

Log P

-0.06254307

Molar Refractivity

53.045

Polarizability

21.17821

Polar Surface Area

32.5

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine

IUPAC name

2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine

Synonyms

2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine1,1-Dimethyl-2-(4-methyl-piperazin-1-yl)-ethylamine

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

MDL Number

CAS Number

Registration numbers

Properties

Safety Information

MSDS Link

Download link

TSCA Listed

false

Storage Warning

IRRITANT

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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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

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC Traditional name

• IUPAC name

• Synonyms

Registration numbers

• PubChem CID

• PubChem SID

• MDL Number

• CAS Number

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:17210