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CAS 17678-60-3 N,N-dimethylpentadecylamine molecular structure lightbox
CAS RN: 17678-60-3

N,N-dimethylpentadecylamine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260622 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS17678-60-3
  • Purity/Analytical Methods: >99.0%
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17678-60-3 / N,N-dimethylpentadecan-1-amine

Standard CAS: 17678-60-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17678-60-3
Multi CAS
No
Molecular Formula
C17H37N
Molecular Weight
255.500000
Exact Mass
255.292600
SMILES
CCCCCCCCCCCCCCCN(C)C
InChI
InChI=1S/C17H37N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h4-17H2,1-3H3
InChIKey
SNHHYQWNNZIBLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
14
H-bond acceptors
1
Molar refractivity
84.25
TPSA
3.24

LogP / Solubility

WLOGP
5.64
MLOGP
4.97
XLogP3
7.5
Consensus LogP
6.04
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.27

Drug-likeness / Medicinal Chemistry

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

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