3',4'-Dihydro-spiro[cyclobutane-1,1'(2'H)-isoquinolin]-6'-amine - CAS 1092794-38-1

Catalog:	BB067770
Product Name:	3',4'-Dihydro-spiro[cyclobutane-1,1'(2'H)-isoquinolin]-6'-amine
CAS:	1092794-38-1
Synonyms:	3',4'-dihydro-2'h-spiro[cyclobutane-1,1'-isoquinolin]-6'-amine; spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclobutane]-6-amine

Technical Data

IUPAC Name:	spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclobutane]-6-amine
Description:	3',4'-Dihydro-spiro[cyclobutane-1,1'(2'H)-isoquinolin]-6'-amine is an intermediate used in the synthesis of amino-heterobicycles as Wee1 kinase inhibitors.
Molecular Weight:	188.27
Molecular Formula:	C12H16N2
Canonical SMILES:	C1CC2(C1)C3=C(CCN2)C=C(C=C3)N
InChI:	InChI=1S/C12H16N2/c13-10-2-3-11-9(8-10)4-7-14-12(11)5-1-6-12/h2-3,8,14H,1,4-7,13H2
InChI Key:	MCLSTAPOMBGCLF-UHFFFAOYSA-N
References:	Bamba, M., et al. PCT Int. Appl., WO 2008153207 A1 20081218 (2008).

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.131348519
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	188.131348519
Rotatable Bond Count:	0
Topological Polar Surface Area:	38Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3