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CAS 10468-40-3 N-Cyclohexylcyclohexylideneamine molecular structure lightbox
CAS RN: 10468-40-3

N-Cyclohexylcyclohexylideneamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250120 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS10468-40-3
  • Purity/Analytical Methods: >99.0%
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10468-40-3 / N-cyclohexylcyclohexanimine

N-cyclohexylcyclohexanimine | Cyclohexanamine, N-cyclohexylidene- | cyclohexyl-cyclohexylidene-amine

Standard CAS: 10468-40-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10468-40-3
Multi CAS
No
Molecular Formula
C12H21N
Molecular Weight
179.300000
Exact Mass
179.167400
SMILES
C1CCC(CC1)N=C2CCCCC2
InChI
InChI=1S/C12H21N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11H,1-10H2
InChIKey
QAFRYXRYDOBFEF-UHFFFAOYSA-N
Synonyms
N-cyclohexylcyclohexanimine Cyclohexanamine, N-cyclohexylidene- cyclohexyl-cyclohexylidene-amine N-Cyclohexylcyclohexylideneamine N-Cyclohexylidenecyclohexanamine

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.39
TPSA
12.36

LogP / Solubility

WLOGP
3.72
MLOGP
3.27
XLogP3
2.8
Consensus LogP
3.26
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.17

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

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