Name: Name:tert-butyl 3-{[(pyridin-3-ylmethyl)amino]methyl}pyrrolidine-1-carboxylate
Brand: Angene
SKU: AG01AGFS
Rating: 90 (10 reviews)

tert-butyl 3-{[(pyridin-3-ylmethyl)amino]methyl}pyrrolidine-1-carboxylate

CAS No.:

887591-27-7

Catalog Number:

AG01AGFS

Molecular Formula:

C16H25N3O2

Molecular Weight:

291.3886

Catalog Number:

AG01AGFS

Chemical Name:

tert-butyl 3-{[(pyridin-3-ylmethyl)amino]methyl}pyrrolidine-1-carboxylate

CAS Number:

887591-27-7

Molecular Formula:

C16H25N3O2

Molecular Weight:

291.3886

MDL Number:

MFCD07786164

IUPAC Name:

tert-butyl 3-[(pyridin-3-ylmethylamino)methyl]pyrrolidine-1-carboxylate

InChI:

InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-8-6-14(12-19)11-18-10-13-5-4-7-17-9-13/h4-5,7,9,14,18H,6,8,10-12H2,1-3H3

InChI Key:

QKWFUCCCHPAYKJ-UHFFFAOYSA-N

SMILES:

O=C(N1CCC(C1)CNCc1cccnc1)OC(C)(C)C

Complexity:

341

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

291.195g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

291.395g/mol

Monoisotopic Mass:

291.195g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5