5969-0014 Screening compound: 2,6-diethyl-N-[1-(prop-2-en-1-yl)cyclohexyl]aniline

5969-0014 Screening compound: 2,6-diethyl-N-[1-(prop-2-en-1-yl)cyclohexyl]aniline
5969-0014 Screening compound: 2,6-diethyl-N-[1-(prop-2-en-1-yl)cyclohexyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5969-0014
2,6-diethyl-N-[1-(prop-2-en-1-yl)cyclohexyl]aniline

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

5969-0014

Molecular Formula

C19H29N (C19 H29 N)

Compound Name

2,6-diethyl-N-[1-(prop-2-en-1-yl)cyclohexyl]aniline

IUPAC name

26-diethyl-N-[1-(prop-2-en-1-yl)cyclohexyl]aniline

SMILES

CCc1cccc(CC)c1NC1(CC=C)CCCCC1

InChI

InChI=1S/C19H29N/c1-4-13-19(14-8-7-9-15-19)20-18-16(5-2)11-10-12-17(18)6-3/h4,10-12,20H,1,5-9,13-15H2,2-3H3

InChI Key

PBOVMOVFJANTJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03692688

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

271.45

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.503

Distribution Coefficient, logD

4.495

Water Solubility, LogSw

-5.43

Polar Surface Area

9.119

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

5969-0014 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5969-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5969-0014?
Check Price and Availability of 5969-0014, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5969-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5969-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5969-0014
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 5969-0014 available by request