tert-butyl 3-(aminomethyl)-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate

tert-butyl 3-(aminomethyl)-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate

CAS: 1160246-99-0

Formula: C15H28N2O3

SMILES: CC(C)(C)OC(=O)N1CCC2(CCC(CN)OC2)CC1

IUPAC: tert-butyl 3-(aminomethyl)-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate

InChI: InChI=1/C15H28N2O3/c1-14(2,3)20-13(18)17-8-6-15(7-9-17)5-4-12(10-16)19-11-15/h12H,4-11,16H2,1-3H3

Composition: C (63.35%), H (9.92%), N (9.85%), O (16.88%)

Molar Mass: 284.4

Atom Count: 48

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	284.20999277
Formal Charge	0
FSP3	0.93
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PIQKTGXRLAEQBB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.87
Topological Polar Surface Area	64.79
Polarizability	31.03
Ring Count	2
Rotatable Bond Count	3

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