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tert-butyl 3-{[2-(dimethylamino)ethyl]amino}pyrrolidine-1-carboxylate

tert-butyl 3-{[2-(dimethylamino)ethyl]amino}pyrrolidine-1-carboxylate

CAS: 887587-43-1

Formula: C13H27N3O2

SMILES: CN(C)CCNC1CCN(C1)C(=O)OC(C)(C)C

IUPAC: tert-butyl 3-{[2-(dimethylamino)ethyl]amino}pyrrolidine-1-carboxylate

InChI: InChI=1/C13H27N3O2/c1-13(2,3)18-12(17)16-8-6-11(10-16)14-7-9-15(4)5/h11,14H,6-10H2,1-5H3

Composition: C (60.67%), H (10.57%), N (16.33%), O (12.43%)

Molar Mass: 257.378

Atom Count: 45

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 257.210327121
Formal Charge 0
FSP3 0.92
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QXXLESWYFDJPFJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 73
Topological Polar Surface Area 44.81
Polarizability 28.9
Ring Count 1
Rotatable Bond Count 6

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