CAS RN: 1000890-03-8

Methoxymethyl-methyl-trimethylsilanylmethyl-amine

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  • Product code: starshine_CAS1000890-03-8
  • Purity/Analytical Methods: >99.0%
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1000890-03-8 / 1-methoxy-N-methyl-N-(trimethylsilylmethyl)methanamine

1000890-03-8 | N-(Methoxymethyl)-N-methyl-N-[(trimethylsilyl)methyl]amine | N-(Methoxymethyl)-N-methyl-N-((trimethylsilyl)methyl)amine

Standard CAS: 1000890-03-8 Multi CAS: No

Basic Information

CAS
1000890-03-8
Multi CAS
No
Molecular Formula
C7H19NOSi
Molecular Weight
161.320000
Exact Mass
161.123591
SMILES
CN(COC)C[Si](C)(C)C
InChI
InChI=1S/C7H19NOSi/c1-8(6-9-2)7-10(3,4)5/h6-7H2,1-5H3
InChIKey
MCQWQZKAZATOQY-UHFFFAOYSA-N
Synonyms
1000890-03-8 N-(Methoxymethyl)-N-methyl-N-[(trimethylsilyl)methyl]amine N-(Methoxymethyl)-N-methyl-N-((trimethylsilyl)methyl)amine RefChem:828503 629-827-0

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
47.85
TPSA
12.47

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.35
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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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