Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1096325-56-2 / N-ethyl-1-methylpyrrolidin-3-amine
N-ethyl-1-methylpyrrolidin-3-amine | Ethyl-(1-methyl-pyrrolidin-3-yl)-amine | 3-(Ethylamino)-1-methylpyrrolidine
Basic Information
CAS
1096325-56-2
Multi CAS
Yes
Molecular Formula
C7H16N2
Molecular Weight
128.220000
Exact Mass
128.131349
SMILES
CCNC1CCN(C1)C
InChI
InChI=1S/C7H16N2/c1-3-8-7-4-5-9(2)6-7/h7-8H,3-6H2,1-2H3
InChIKey
RPTGTAYSFGXFGV-UHFFFAOYSA-N
Synonyms
N-ethyl-1-methylpyrrolidin-3-amine
Ethyl-(1-methyl-pyrrolidin-3-yl)-amine
3-(Ethylamino)-1-methylpyrrolidine
MFCD11640615
3-pyrrolidinamine, n-ethyl-1-methyl-
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.58
TPSA
15.27
LogP / Solubility
WLOGP
0.3
MLOGP
0.26
XLogP3
0.4
Consensus LogP
0.32
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.98
Class (SILICOS-IT)
Very 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)
-3.29
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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