CAS RN: 131466-47-2
(1-AMINOMETHYL-CYCLOHEXYL)-DIETHYL-AMINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250622 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS131466-47-2
- Purity/Analytical Methods: >99.0%
131466-47-2 / 1-(aminomethyl)-N,N-diethylcyclohexan-1-amine
Basic Information
CAS
131466-47-2
Multi CAS
No
Molecular Formula
C11H24N2
Molecular Weight
184.320000
Exact Mass
184.193949
SMILES
CCN(CC)C1(CCCCC1)CN
InChI
InChI=1S/C11H24N2/c1-3-13(4-2)11(10-12)8-6-5-7-9-11/h3-10,12H2,1-2H3
InChIKey
FNFZQQDMUXFKDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.79
TPSA
29.26
LogP / Solubility
WLOGP
1.99
MLOGP
1.75
XLogP3
1.7
Consensus LogP
1.81
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately 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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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