tert-butyl N-{2-[bis(2-aminoethyl)amino]ethyl}carbamate

tert-butyl N-{2-[bis(2-aminoethyl)amino]ethyl}carbamate

CAS: 179167-09-0

Formula: C11H26N4O2

SMILES: CC(C)(C)OC(=O)NCCN(CCN)CCN

IUPAC: tert-butyl N-{2-[bis(2-aminoethyl)amino]ethyl}carbamate

InChI: InChI=1S/C11H26N4O2/c1-11(2,3)17-10(16)14-6-9-15(7-4-12)8-5-13/h4-9,12-13H2,1-3H3,(H,14,16)

Composition: C (53.63%), H (10.64%), N (22.74%), O (12.99%)

Molar Mass: 246.355

Atom Count: 43

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	246.205576093
Formal Charge	0
FSP3	0.91
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	BVAMRLJEVWHBGG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.71
Topological Polar Surface Area	93.61
Polarizability	27.47
Ring Count	0
Rotatable Bond Count	9

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