![CAS 2089649-12-5 3-methyl-3-azabicyclo[3.1.1]heptan-6-amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2089649-12-5.png)
CAS RN: 2089649-12-5
3-methyl-3-azabicyclo[3.1.1]heptan-6-amine dihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250705 | 100mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2089649-12-5
- Purity/Analytical Methods: >99.0%
2089649-12-5 / 3-methyl-3-azabicyclo[3.1.1]heptan-6-amine;dihydrochloride
Basic Information
CAS
2089649-12-5
Multi CAS
No
Molecular Formula
C7H16Cl2N2
Molecular Weight
199.120000
Exact Mass
198.069054
SMILES
CN1CC2CC(C1)C2N.Cl.Cl
InChI
InChI=1S/C7H14N2.2ClH/c1-9-3-5-2-6(4-9)7(5)8;;/h5-7H,2-4,8H2,1H3;2*1H
InChIKey
VXBUXBCMZOUIDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.57
TPSA
29.26
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
0.74
Consensus LogP
0.71
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
5-AMINO-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL HYDROCHLORIDE
- CAS RN: 2089649-19-2
- Product Code: SSC-098349
-
8-bromo-1,6-naphthyridine-3-carboxylic acid
- CAS RN: 2089649-21-6
- Product Code: starshine_CAS2089649-21-6
- Purity/Analytical method: >99.0%
-
5-BROMO-3-(1-METHYL-1,2,3,6-TETRAHYDROPYRIDIN-4-YL)-1H-PYRROLO[2,3-B]PYRIDINE
- CAS RN: 2089649-34-1
- Product Code: SSC-098351
-
6-methyl-2-azaspiro[3.3]heptane hydrochloride
- CAS RN: 2089649-42-1
- Product Code: SSC-098353
-
-
3-methyl-3,6-diazabicyclo[3.1.1]heptane dihydrochloride
- CAS RN: 2089649-86-3
- Product Code: SSC-098355
![CAS 2089649-34-1 5-BROMO-3-(1-METHYL-1,2,3,6-TETRAHYDROPYRIDIN-4-YL)-1H-PYRROLO[2,3-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2089649-34-1.png)
![CAS 2089649-42-1 6-methyl-2-azaspiro[3.3]heptane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2089649-42-1.png)
![CAS 2089649-86-3 3-methyl-3,6-diazabicyclo[3.1.1]heptane dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2089649-86-3.png)