N1,N1-dimethyl-N3-(4-(pyrrolidin-1-yl)benzyl)propane-1,3-diamine|[3-(dimethylamino)propyl]({[4-(pyrrolidin-1-yl)phenyl]methyl})amine|[3-(dimethylamino)propyl]({[4-(pyrrolidin-1-yl)phenyl]methyl})ami...

General Information

Structure

Molecular Formula

C₁₆H₂₇N₃

Molecular Mass

261.40568

Exact Mass

261.22049788

Charge

InChI

InChI=1S/C16H27N3/c1-18(2)11-5-10-17-14-15-6-8-16(9-7-15)19-12-3-4-13-19/h6-9,17H,3-5,10-14H2,1-2H3

InChIKey

OLJAKKUICLEAJV-UHFFFAOYSA-N

Canonic Smiles

CN(CCCNCc1ccc(cc1)N1CCCC1)C

Isomeric Smiles

N1(c2ccc(cc2)CNCCCN(C)C)CCCC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-3.6019578

LogD (pH = 7.4)

-1.1548101

Log P

2.1240401

Molar Refractivity

84.1601

Polarizability

32.252453

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

N1,N1-dimethyl-N3-(4-(pyrrolidin-1-yl)benzyl)propane-1,3-diamine

IUPAC name

[3-(dimethylamino)propyl]({[4-(pyrrolidin-1-yl)phenyl]methyl})amine

IUPAC Traditional name

[3-(dimethylamino)propyl]({[4-(pyrrolidin-1-yl)phenyl]methyl})amine

Names and Identifiers

Registration numbers

PubChem CID

16394896

PubChem SID

162216727

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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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:122374