[2-(cyclohex-1-en-1-yl)ethyl](pyridin-4-ylmethyl)amine hydrochloride|[2-(cyclohex-1-en-1-yl)ethyl](pyridin-4-ylmethyl)amine hydrochloride|2-(cyclohex-1-en-1-yl)-N-(pyridin-4-ylmethyl)ethanamine hydr...

General Information

Structure

Molecular Formula

C₁₄H₂₁ClN₂

Molecular Mass

252.78294

Exact Mass

252.13932636

Charge

InChI

InChI=1S/C14H20N2.ClH/c1-2-4-13(5-3-1)6-11-16-12-14-7-9-15-10-8-14;/h4,7-10,16H,1-3,5-6,11-12H2;1H

InChIKey

LZAABMWIYURXGN-UHFFFAOYSA-N

Canonic Smiles

C1CCC(=CC1)CCNCc1ccncc1.Cl

Isomeric Smiles

C1(=CCCCC1)CCNCc1ccncc1.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.7864686

LogD (pH = 7.4)

0.2991109

Log P

2.389241

Molar Refractivity

68.4221

Polarizability

26.60194

Polar Surface Area

24.92

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

[2-(cyclohex-1-en-1-yl)ethyl](pyridin-4-ylmethyl)amine hydrochloride

IUPAC name

[2-(cyclohex-1-en-1-yl)ethyl](pyridin-4-ylmethyl)amine hydrochloride

Synonyms

2-(cyclohex-1-en-1-yl)-N-(pyridin-4-ylmethyl)ethanamine hydrochloride

Names and Identifiers

Registration numbers

PubChem SID

162218306

PubChem CID

17206479

Registration numbers

Properties

Product Information

Salt Data

HCl

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:123953