Benzyltrimethylammonium methoxide
C₁₁H₁₉NO·181.270 g/mol·CID 8504
IUPAC: benzyl(trimethyl)azanium;methanolate
Also known as: 122-08-7, Benzyltrimethylammonium methanolate, N,N,N-Trimethylbenzenemethanaminium methoxide, Benzenemethanaminium, N,N,N-trimethyl-, methoxide, AMMONIUM, BENZYLTRIMETHYL-, METHOXIDE (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
181.270g/mol
Exact Mass
181.146664Da
Monoisotopic Mass
181.146664Da
XLogP
—
Polar Surface Area
23.1Ų
Complexity
109
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
1
Rotatable Bonds
2
Heavy Atoms
13
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 181.3 g/mol
MW ≤ 500
? —
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 1
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C10H16N.CH3O/c1-11(2,3)9-10-7-5-4-6-8-10;1-2/h4-8H,9H2,1-3H3;1H3/q+1;-1
Isomers8 compounds with formula C₁₁H₁₉NO
(2R)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
CID 10313386 · 181.3 g/mol
N-ethylnona-2,6-dienamide
CID 57351458 · 181.3 g/mol
(2E,6Z)-N-ethylnona-2,6-dienamide
CID 11309884 · 181.3 g/mol
5,5-dimethyl-3-(propylamino)cyclohex-2-en-1-one
CID 143371 · 181.3 g/mol
4-(cyclohepten-1-yl)morpholine
CID 306092 · 181.3 g/mol
2-butyl-4,5-diethyl-1,3-oxazole
CID 525778 · 181.3 g/mol
2-butyl-5-methyl-4-propyl-1,3-oxazole
CID 525779 · 181.3 g/mol
2-hexyl-4,5-dimethyl-1,3-oxazole
CID 525781 · 181.3 g/mol