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CAS 131466-47-2 (1-AMINOMETHYL-CYCLOHEXYL)-DIETHYL-AMINE molecular structure lightbox
CAS RN: 131466-47-2

(1-AMINOMETHYL-CYCLOHEXYL)-DIETHYL-AMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250622 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS131466-47-2
  • Purity/Analytical Methods: >99.0%
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131466-47-2 / 1-(aminomethyl)-N,N-diethylcyclohexan-1-amine

Standard CAS: 131466-47-2 Multi CAS: No
Basic Information Computed Properties

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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