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CAS 22890-10-4 N-[3-(dimethylamino)propyl]octanamide molecular structure lightbox
CAS RN: 22890-10-4

N-[3-(dimethylamino)propyl]octanamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS22890-10-4
  • Purity/Analytical Methods: >99.0%
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22890-10-4 / N-[3-(dimethylamino)propyl]octanamide

Standard CAS: 22890-10-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
22890-10-4
Multi CAS
No
Molecular Formula
C13H28N2O
Molecular Weight
228.370000
Exact Mass
228.220164
SMILES
CCCCCCCC(=O)NCCCN(C)C
InChI
InChI=1S/C13H28N2O/c1-4-5-6-7-8-10-13(16)14-11-9-12-15(2)3/h4-12H2,1-3H3,(H,14,16)
InChIKey
RZJGTTOKUNMVCJ-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid; Other Solid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.56
TPSA
32.34

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
2.9
Consensus LogP
2.48
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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