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CAS 219835-66-2 (3,3,5,5-tetramethylcyclohexyl)methanamine hydrochloride molecular structure lightbox
CAS RN: 219835-66-2

(3,3,5,5-tetramethylcyclohexyl)methanamine hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250713 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS219835-66-2
  • Purity/Analytical Methods: >99.0%
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219835-66-2 / (3,3,5,5-tetramethylcyclohexyl)methanamine;hydrochloride

Standard CAS: 219835-66-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
219835-66-2
Multi CAS
No
Molecular Formula
C11H24ClN
Molecular Weight
205.770000
Exact Mass
205.159728
SMILES
CC1(CC(CC(C1)(C)C)CN)C.Cl
InChI
InChI=1S/C11H23N.ClH/c1-10(2)5-9(7-12)6-11(3,4)8-10;/h9H,5-8,12H2,1-4H3;1H
InChIKey
SSJNMFPQWNHVBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.21
TPSA
26.02

LogP / Solubility

WLOGP
3.22
MLOGP
2.83
XLogP3
3.22
Consensus LogP
3.09
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly 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)
-1.69

Drug-likeness / Medicinal Chemistry

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

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