N-Methylanatoxin
C₁₁H₁₉NO·181.270 g/mol·CID 149072
IUPAC: (1R)-1-[(1R,6R)-9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanol
Also known as: 120786-68-7, 2-(10-Hydroxyethyl)-9-methyl-9-azabicyclo(4.2.1)-2-nonene, DTXSID90923557, RefChem:163791, DTXCID601352408 (+3 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
181.270g/mol
Exact Mass
181.146664Da
Monoisotopic Mass
181.146664Da
XLogP
1.0
Polar Surface Area
23.5Ų
Complexity
224
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
2
Rotatable Bonds
1
Heavy Atoms
13
Stereo Centers
3
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 181.3 g/mol
MW ≤ 500
✓ 1.0
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C11H19NO/c1-8(13)10-5-3-4-9-6-7-11(10)12(9)2/h5,8-9,11,13H,3-4,6-7H2,1-2H3/t8-,9-,11-/m1/s1
Isomers8 compounds with formula C₁₁H₁₉NO
benzyl(trimethyl)azanium;methanolate
CID 8504 · 181.3 g/mol
(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