CAS RN: 918-02-5
N,N-DIMETHYL-TERT-BUTYLAMINE
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS918-02-5
- Purity/Analytical Methods: >99.0%
918-02-5 / N,N,2-trimethylpropan-2-amine
Basic Information
CAS
918-02-5
Multi CAS
Yes
Molecular Formula
C6H15N
Molecular Weight
101.190000
Exact Mass
101.120449
InChI
InChI=1S/C6H15N/c1-6(2,3)7(4)5/h1-5H3
InChIKey
OXQMIXBVXHWDPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
33.44
TPSA
3.24
LogP / Solubility
WLOGP
1.35
MLOGP
1.17
XLogP3
1.2
Consensus LogP
1.24
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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