N,N,3,3-Tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine - CAS 107431-14-1

Catalog:	BB057495
Product Name:	N,N,3,3-Tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine
CAS:	107431-14-1
Synonyms:	N,N,3,3-Tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine

Technical Data

IUPAC Name:	N,N,3,3-tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine
Description:	N,N,3,3-Tetramethyl-1,5-dioxaspiro[5.5]undecan-9-amine is a reagent in the preparation of carbazolecarboxamides and cycloheptaindolecarboxamides as 5-HT1F agonists for the treatment of migraines.
Molecular Weight:	227.34
Molecular Formula:	C13H25NO2
Canonical SMILES:	CC1(COC2(CCC(CC2)N(C)C)OC1)C
InChI:	InChI=1S/C13H25NO2/c1-12(2)9-15-13(16-10-12)7-5-11(6-8-13)14(3)4/h11H,5-10H2,1-4H3
InChI Key:	JZWMATNATWMPLK-UHFFFAOYSA-N
References:	Flaugh, M.E., et al. Eur. Pat. Appl., 1998:804022 (1998).

Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.18852904
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	227.18852904
Rotatable Bond Count:	1
Topological Polar Surface Area:	21.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2