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Home > Other Heterocycles > 1001054-49-4
1001054-49-4 | 3,9-Diazaspiro[5.5]undecane, 3-cyclobutyl-9-(phenylmethyl)-
CAS No: 1001054-49-4 Catalog No: AG0000YH MDL No:
Product Description
Catalog Number:
AG0000YH
Chemical Name:
3,9-Diazaspiro[5.5]undecane, 3-cyclobutyl-9-(phenylmethyl)-
CAS Number:
1001054-49-4
Molecular Formula:
C20H30N2
Molecular Weight:
298.4656
IUPAC Name:
9-benzyl-3-cyclobutyl-3,9-diazaspiro[5.5]undecane
InChI:
InChI=1S/C20H30N2/c1-2-5-18(6-3-1)17-21-13-9-20(10-14-21)11-15-22(16-12-20)19-7-4-8-19/h1-3,5-6,19H,4,7-17H2
InChI Key:
FIMUWOFTOPUJRT-UHFFFAOYSA-N
SMILES:
C1CC(C1)N1CCC2(CC1)CCN(CC2)Cc1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.241g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.474g/mol
Monoisotopic Mass:
298.241g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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