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CAS 90203-82-0 N-Methylbicyclo[2.2.1]heptan-2-amine hydrochloride molecular structure lightbox
CAS RN: 90203-82-0

N-Methylbicyclo[2.2.1]heptan-2-amine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250224 100mg / 250mg Out of stock 5-7 business days Inquiry
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90203-82-0 / N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride

RefChem:1079766 | Bicyclo(2.2.1)heptan-2-amine, N-methyl-, hydrochloride (1:1) | N-methylbicyclo[2.2.1]heptan-2-amine hydrochloride

Standard CAS: 90203-82-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90203-82-0
Multi CAS
No
Molecular Formula
C8H16CLN
Molecular Weight
161.670000
Exact Mass
161.097127
SMILES
CNC1CC2CCC1C2.Cl
InChI
InChI=1S/C8H15N.ClH/c1-9-8-5-6-2-3-7(8)4-6;/h6-9H,2-5H2,1H3;1H
InChIKey
NGQMCJXJNPZWGI-UHFFFAOYSA-N
Synonyms
RefChem:1079766 Bicyclo(2.2.1)heptan-2-amine, N-methyl-, hydrochloride (1:1) N-methylbicyclo[2.2.1]heptan-2-amine hydrochloride N-methylnorbornan-2-amine;hydrochloride MFCD28118423

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.54
TPSA
12.03

LogP / Solubility

WLOGP
1.82
MLOGP
1.59
XLogP3
1.82
Consensus LogP
1.74
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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