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Home > Other Heterocycles > 918653-11-9
918653-11-9 | 3,9-Diazaspiro[5.5]undecane, 3-(6-methoxy-2-naphthalenyl)-9-methyl-
CAS No: 918653-11-9 Catalog No: AG006O7I MDL No:
Product Description
Catalog Number:
AG006O7I
Chemical Name:
3,9-Diazaspiro[5.5]undecane, 3-(6-methoxy-2-naphthalenyl)-9-methyl-
CAS Number:
918653-11-9
Molecular Formula:
C21H28N2O
Molecular Weight:
324.4598
IUPAC Name:
3-(6-methoxynaphthalen-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane
InChI:
InChI=1S/C21H28N2O/c1-22-11-7-21(8-12-22)9-13-23(14-10-21)19-5-3-18-16-20(24-2)6-4-17(18)15-19/h3-6,15-16H,7-14H2,1-2H3
InChI Key:
VYZMIEPDFFXWHZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc(c2)N1CCC2(CC1)CCN(CC2)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.22g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.468g/mol
Monoisotopic Mass:
324.22g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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