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CAS 3717-40-6 N,N-Dimethyl-1-adamantylamine molecular structure lightbox
CAS RN: 3717-40-6

N,N-Dimethyl-1-adamantylamine

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260625 100mg / 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai 20 business days Inquiry
  • Product code: starshine_CAS3717-40-6
  • Purity/Analytical Methods: >99.0%
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3717-40-6 / N,N-dimethyladamantan-1-amine

Standard CAS: 3717-40-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3717-40-6
Multi CAS
No
Molecular Formula
C12H21N
Molecular Weight
179.300000
Exact Mass
179.167400
InChI
InChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3
InChIKey
NFBYCNFAXLUGBT-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.59
TPSA
3.24

LogP / Solubility

WLOGP
2.52
MLOGP
2.21
XLogP3
2.9
Consensus LogP
2.54
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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