Name: Name:tert-butyl 1-{[(1-methyl-1H-imidazol-2-yl)methyl]amino}-6-azaspiro[2.5]octane-6-carboxylate
Brand: Angene
SKU: AG01AGGJ
Rating: 90 (10 reviews)

tert-butyl 1-{[(1-methyl-1H-imidazol-2-yl)methyl]amino}-6-azaspiro[2.5]octane-6-carboxylate

CAS No.:

1803583-76-7

Catalog Number:

AG01AGGJ

Molecular Formula:

C17H28N4O2

Molecular Weight:

320.4298

Catalog Number:

AG01AGGJ

Chemical Name:

tert-butyl 1-{[(1-methyl-1H-imidazol-2-yl)methyl]amino}-6-azaspiro[2.5]octane-6-carboxylate

CAS Number:

1803583-76-7

Molecular Formula:

C17H28N4O2

Molecular Weight:

320.4298

MDL Number:

MFCD28348001

IUPAC Name:

tert-butyl 2-[(1-methylimidazol-2-yl)methylamino]-6-azaspiro[2.5]octane-6-carboxylate

InChI:

InChI=1S/C17H28N4O2/c1-16(2,3)23-15(22)21-8-5-17(6-9-21)11-13(17)19-12-14-18-7-10-20(14)4/h7,10,13,19H,5-6,8-9,11-12H2,1-4H3

InChI Key:

QVWPPHPXMFEBBJ-UHFFFAOYSA-N

SMILES:

O=C(N1CCC2(CC1)CC2NCc1nccn1C)OC(C)(C)C

Complexity:

440

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

320.221g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

320.437g/mol

Monoisotopic Mass:

320.221g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1