2-[2-(2-aminoethoxy)ethoxy]ethanamine;5-bromopentanenitrile;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[4-cyanobutyl(4-isocyanobutyl)amino]ethoxy]ethoxy]ethyl]carbamate;(4R)-4-methoxycarbonyl-6-oxo-6-phenylmethoxyhexanoic acid

C79H150BrN13O20 — CID 159271194

About 2-[2-(2-aminoethoxy)ethoxy]ethanamine;5-bromopentanenitrile;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[4-cyanobutyl(4-isocyanobutyl)amino]ethoxy]ethoxy]ethyl]carbamate;(4R)-4-methoxycarbonyl-6-oxo-6-phenylmethoxyhexanoic acid

2-[2-(2-aminoethoxy)ethoxy]ethanamine;5-bromopentanenitrile;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[4-cyanobutyl(4-isocyanobutyl)amino]ethoxy]ethoxy]ethyl]carbamate;(4R)-4-methoxycarbonyl-6-oxo-6-phenylmethoxyhexanoic acid (PubChem CID 159271194) has the molecular formula C79H150BrN13O20 and a molecular weight of 1682.04 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]ethanamine;5-bromopentanenitrile;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[4-cyanobutyl(4-isocyanobutyl)amino]ethoxy]ethoxy]ethyl]carbamate;(4R)-4-methoxycarbonyl-6-oxo-6-phenylmethoxyhexanoic acid.

Molecular Properties

• Compound Name: 2-[2-(2-aminoethoxy)ethoxy]ethanamine;5-bromopentanenitrile;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[4-cyanobutyl(4-isocyanobutyl)amino]ethoxy]ethoxy]ethyl]carbamate;(4R)-4-methoxycarbonyl-6-oxo-6-phenylmethoxyhexanoic acid
• PubChem CID: 159271194
• Molecular Formula: C79H150BrN13O20
• Molecular Weight: 1682.04 g/mol
• Exact Mass: 1680.03
• IUPAC Name: 2-[2-(2-aminoethoxy)ethoxy]ethanamine;5-bromopentanenitrile;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[4-cyanobutyl(4-isocyanobutyl)amino]ethoxy]ethoxy]ethyl]carbamate;(4R)-4-methoxycarbonyl-6-oxo-6-phenylmethoxyhexanoic acid
• SMILES: CC(C)(C)OC(=O)NCCOCCOCCN.CC(C)(C)OC(=O)NCCOCCOCCN(CCCCCN)CCCCCN.COC(=O)[C@H](CCC(=O)O)CC(=O)OCc1ccccc1.N#CCCCCBr.NCCOCCOCCN.[C-]#[N+]CCCCN(CCCCC#N)CCOCCOCCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C21H38N4O4.C21H46N4O4.C15H18O6.C11H24N2O4.C6H16N2O2.C5H8BrN/c1-21(2,3)29-20(26)24-12-16-27-18-19-28-17-15-25(13-8-5-6-10-22)14-9-7-11-23-4;1-21(2,3)29-20(26)24-12-16-27-18-19-28-17-15-25(13-8-4-6-10-22)14-9-5-7-11-23;1-20-15(19)12(7-8-13(16)17)9-14(18)21-10-11-5-3-2-4-6-11;1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12;7-1-3-9-5-6-10-4-2-8;6-4-2-1-3-5-7/h5-9,11-19H2,1-3H3,(H,24,26);4-19,22-23H2,1-3H3,(H,24,26);2-6,12H,7-10H2,1H3,(H,16,17);4-9,12H2,1-3H3,(H,13,14);1-8H2;1-4H2/t;;12-;;;/m..1.../s1
• InChIKey: KXSWHPKOWHYIRV-JLTMQIRPSA-N
• XLogP: 8.63
• TPSA: 467.25 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 62
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1682.04
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;5-bromopentanenitrile;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[4-cyanobutyl(4-isocyanobutyl)amino]ethoxy]ethoxy]ethyl]carbamate;(4R)-4-methoxycarbonyl-6-oxo-6-phenylmethoxyhexanoic acid?

The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;5-bromopentanenitrile;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[4-cyanobutyl(4-isocyanobutyl)amino]ethoxy]ethoxy]ethyl]carbamate;(4R)-4-methoxycarbonyl-6-oxo-6-phenylmethoxyhexanoic acid (CID 159271194) is 2-[2-(2-aminoethoxy)ethoxy]ethanamine;5-bromopentanenitrile;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[4-cyanobutyl(4-isocyanobutyl)amino]ethoxy]ethoxy]ethyl]carbamate;(4R)-4-methoxycarbonyl-6-oxo-6-phenylmethoxyhexanoic acid.

What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]ethanamine;5-bromopentanenitrile;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[4-cyanobutyl(4-isocyanobutyl)amino]ethoxy]ethoxy]ethyl]carbamate;(4R)-4-methoxycarbonyl-6-oxo-6-phenylmethoxyhexanoic acid?

The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]ethanamine;5-bromopentanenitrile;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[4-cyanobutyl(4-isocyanobutyl)amino]ethoxy]ethoxy]ethyl]carbamate;(4R)-4-methoxycarbonyl-6-oxo-6-phenylmethoxyhexanoic acid is CC(C)(C)OC(=O)NCCOCCOCCN.CC(C)(C)OC(=O)NCCOCCOCCN(CCCCCN)CCCCCN.COC(=O)[C@H](CCC(=O)O)CC(=O)OCc1ccccc1.N#CCCCCBr.NCCOCCOCCN.[C-]#[N+]CCCCN(CCCCC#N)CCOCCOCCNC(=O)OC(C)(C)C.

What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;5-bromopentanenitrile;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[4-cyanobutyl(4-isocyanobutyl)amino]ethoxy]ethoxy]ethyl]carbamate;(4R)-4-methoxycarbonyl-6-oxo-6-phenylmethoxyhexanoic acid?

The InChIKey is KXSWHPKOWHYIRV-JLTMQIRPSA-N. The full InChI is InChI=1S/C21H38N4O4.C21H46N4O4.C15H18O6.C11H24N2O4.C6H16N2O2.C5H8BrN/c1-21(2,3)29-20(26)24-12-16-27-18-19-28-17-15-25(13-8-5-6-10-22)14-9-7-11-23-4;1-21(2,3)29-20(26)24-12-16-27-18-19-28-17-15-25(13-8-4-6-10-22)14-9-5-7-11-23;1-20-15(19)12(7-8-13(16)17)9-14(18)21-10-11-5-3-2-4-6-11;1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12;7-1-3-9-5-6-10-4-2-8;6-4-2-1-3-5-7/h5-9,11-19H2,1-3H3,(H,24,26);4-19,22-23H2,1-3H3,(H,24,26);2-6,12H,7-10H2,1H3,(H,16,17);4-9,12H2,1-3H3,(H,13,14);1-8H2;1-4H2/t;;12-;;;/m..1.../s1.

What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;5-bromopentanenitrile;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[4-cyanobutyl(4-isocyanobutyl)amino]ethoxy]ethoxy]ethyl]carbamate;(4R)-4-methoxycarbonyl-6-oxo-6-phenylmethoxyhexanoic acid?

2-[2-(2-aminoethoxy)ethoxy]ethanamine;5-bromopentanenitrile;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[4-cyanobutyl(4-isocyanobutyl)amino]ethoxy]ethoxy]ethyl]carbamate;(4R)-4-methoxycarbonyl-6-oxo-6-phenylmethoxyhexanoic acid has a molecular weight of 1682.04 g/mol, XLogP of 8.63, 62 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-aminoethoxy)ethoxy]ethanamine;5-bromopentanenitrile;tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[bis(5-aminopentyl)amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[2-[4-cyanobutyl(4-isocyanobutyl)amino]ethoxy]ethoxy]ethyl]carbamate;(4R)-4-methoxycarbonyl-6-oxo-6-phenylmethoxyhexanoic acid is sourced from PubChem (CID 159271194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).