CAS RN: 25419-06-1
N-Methylpentylamine
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251103 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Hebei, Shandong, Chongqing, Shanghai | Inquiry |
- Product code: ICTM2231
- Purity/Analytical Methods: >98.0%(GC)(T)
25419-06-1 / N-methylpentan-1-amine
Basic Information
CAS
25419-06-1
Multi CAS
No
Molecular Formula
C6H15N
Molecular Weight
101.190000
Exact Mass
101.120449
SMILES
CCCCCNC
InChI
InChI=1S/C6H15N/c1-3-4-5-6-7-2/h7H,3-6H2,1-2H3
InChIKey
UOIWOHLIGKIYFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.45
TPSA
12.03
LogP / Solubility
WLOGP
1.4
MLOGP
1.22
XLogP3
1.6
Consensus LogP
1.41
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
