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CAS 2920178-39-6 (3R)-N,1-dimethylpyrrolidin-3-amine;dihydrochloride molecular structure lightbox
CAS RN: 2920178-39-6

(3R)-N,1-dimethylpyrrolidin-3-amine;dihydrochloride

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Batchno.20250319 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
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2920178-39-6 / (3R)-N,1-dimethylpyrrolidin-3-amine;dihydrochloride

(3R)-N,1-dimethylpyrrolidin-3-amine;dihydrochloride | (3R)-N,1-DIMETHYLPYRROLIDIN-3-AMINE DIHYDROCHLORIDE | (R)-N,1-Dimethylpyrrolidin-3-amine dihydrochloride

Standard CAS: 2920178-39-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2920178-39-6
Multi CAS
Yes
Molecular Formula
C6H16CL2N2
Molecular Weight
187.110000
Exact Mass
186.069054
SMILES
CNC1CCN(C1)C.Cl.Cl
InChI
InChI=1S/C6H14N2.2ClH/c1-7-6-3-4-8(2)5-6;;/h6-7H,3-5H2,1-2H3;2*1H/t6-;;/m1../s1
InChIKey
UTASHRWEZBRYDZ-QYCVXMPOSA-N
Synonyms
(3R)-N,1-dimethylpyrrolidin-3-amine;dihydrochloride (3R)-N,1-DIMETHYLPYRROLIDIN-3-AMINE DIHYDROCHLORIDE (R)-N,1-Dimethylpyrrolidin-3-amine dihydrochloride MFCD34646494 F86003

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.46
TPSA
15.27

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
0.75
Consensus LogP
0.72
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
Class (SILICOS-IT)
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)
-3.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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