CAS 884507-55-5|N-Methyl-4-[(4-methylhomopiperazin-1-yl)methyl]benzylamine|methyl({4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl}methyl)amine|methyl({4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl}meth...

General Information

Structure

Molecular Formula

C₁₅H₂₅N₃

Molecular Mass

247.3791

Exact Mass

247.20484782

Charge

InChI

InChI=1S/C15H25N3/c1-16-12-14-4-6-15(7-5-14)13-18-9-3-8-17(2)10-11-18/h4-7,16H,3,8-13H2,1-2H3

InChIKey

IAMOTCGZNDFBJW-UHFFFAOYSA-N

Canonic Smiles

CNCc1ccc(cc1)CN1CCCN(CC1)C

Isomeric Smiles

N(C)Cc1ccc(cc1)CN1CCCN(CC1)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-5.369683

LogD (pH = 7.4)

-2.8444726

Log P

1.3800707

Molar Refractivity

78.7642

Polarizability

30.805944

Polar Surface Area

18.51

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

N-Methyl-4-[(4-methylhomopiperazin-1-yl)methyl]benzylamine

IUPAC Traditional name

methyl({4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl}methyl)amine

IUPAC name

methyl({4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl}methyl)amine

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

MDL Number

CAS Number

Registration numbers

Properties

Safety Information

Storage Warning

Corrosive

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

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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

• Synonyms

• IUPAC Traditional name

• IUPAC name

Registration numbers

• PubChem SID

• PubChem CID

• MDL Number

• CAS Number

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:76030