2-(2-aminoethoxy)ethanamine;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-5-(2-methylpropanoyl)-6-oxopyridine-2-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;2-(2-methoxyethoxy)ethanamine

C121H170N28O46 — CID 158886712

About 2-(2-aminoethoxy)ethanamine;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-5-(2-methylpropanoyl)-6-oxopyridine-2-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;2-(2-methoxyethoxy)ethanamine

2-(2-aminoethoxy)ethanamine;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-5-(2-methylpropanoyl)-6-oxopyridine-2-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;2-(2-methoxyethoxy)ethanamine (PubChem CID 158886712) has the molecular formula C121H170N28O46 and a molecular weight of 2752.84 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethanamine;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-5-(2-methylpropanoyl)-6-oxopyridine-2-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;2-(2-methoxyethoxy)ethanamine.

Molecular Properties

• Compound Name: 2-(2-aminoethoxy)ethanamine;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-5-(2-methylpropanoyl)-6-oxopyridine-2-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;2-(2-methoxyethoxy)ethanamine
• PubChem CID: 158886712
• Molecular Formula: C121H170N28O46
• Molecular Weight: 2752.84 g/mol
• Exact Mass: 2751.18
• IUPAC Name: 2-(2-aminoethoxy)ethanamine;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-5-(2-methylpropanoyl)-6-oxopyridine-2-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;2-(2-methoxyethoxy)ethanamine
• SMILES: CC(C)C(=O)c1ccc(C(=O)N2CCCNC(=O)c3ccc(c(=O)n3O)C(=O)N[C@@H]3COC[C@@H]3NC(=O)c3ccc(n(O)c3=O)C(=O)NCCCN(C(=O)c3ccc(C(=O)C(C)C)c(=O)n3O)C(C(=O)NCCOCCN)CCC2)n(O)c1=O.CC(C)C(=O)c1ccc(C(=O)N2CCCNC(=O)c3ccc(c(=O)n3O)C(=O)N[C@@H]3COC[C@@H]3NC(=O)c3ccc(n(O)c3=O)C(=O)NCCCN(C(=O)c3ccc(C(=O)C(C)C)n(O)c3=O)C(C(=O)NCCOCCN)CCC2)c(=O)n1O.COCCOCCN.NC1C(O)OC(CO)C(O)C1O.NCCOCCN
• InChI: InChI=1S/2C53H66N12O19.C6H13NO5.C5H13NO2.C4H12N2O/c1-28(2)41(66)36-13-11-32(52(77)62(36)79)48(73)60-21-5-8-38(45(70)57-20-25-83-24-17-54)61(49(74)33-12-14-37(42(67)29(3)4)63(80)53(33)78)23-7-19-56-47(72)40-16-10-31(51(76)65(40)82)44(69)59-35-27-84-26-34(35)58-43(68)30-9-15-39(64(81)50(30)75)46(71)55-18-6-22-60;1-28(2)41(66)30-9-15-39(64(81)48(30)73)52(77)60-21-5-8-36(45(70)57-20-25-83-24-17-54)61(53(78)40-16-10-31(42(67)29(3)4)49(74)65(40)82)23-7-19-56-47(72)38-14-12-33(51(76)63(38)80)44(69)59-35-27-84-26-34(35)58-43(68)32-11-13-37(62(79)50(32)75)46(71)55-18-6-22-60;7-3-5(10)4(9)2(1-8)12-6(3)11;1-7-4-5-8-3-2-6;5-1-3-7-4-2-6/h9-16,28-29,34-35,38,79-82H,5-8,17-27,54H2,1-4H3,(H,55,71)(H,56,72)(H,57,70)(H,58,68)(H,59,69);9-16,28-29,34-36,79-82H,5-8,17-27,54H2,1-4H3,(H,55,71)(H,56,72)(H,57,70)(H,58,68)(H,59,69);2-6,8-11H,1,7H2;2-6H2,1H3;1-6H2/t34-,35+,38?;34-,35+,36?;;;/m11.../s1
• InChIKey: JDSLATAVWCTPOO-JZVJPPCISA-N
• XLogP: -9.40
• TPSA: 1089.24 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 60
• Rotatable Bonds: 34
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2752.84
LogP ≤ 5	-9.40
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethanamine;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-5-(2-methylpropanoyl)-6-oxopyridine-2-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;2-(2-methoxyethoxy)ethanamine?

The IUPAC name of 2-(2-aminoethoxy)ethanamine;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-5-(2-methylpropanoyl)-6-oxopyridine-2-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;2-(2-methoxyethoxy)ethanamine (CID 158886712) is 2-(2-aminoethoxy)ethanamine;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-5-(2-methylpropanoyl)-6-oxopyridine-2-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;2-(2-methoxyethoxy)ethanamine.

What is the SMILES notation for 2-(2-aminoethoxy)ethanamine;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-5-(2-methylpropanoyl)-6-oxopyridine-2-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;2-(2-methoxyethoxy)ethanamine?

The canonical SMILES for 2-(2-aminoethoxy)ethanamine;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-5-(2-methylpropanoyl)-6-oxopyridine-2-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;2-(2-methoxyethoxy)ethanamine is CC(C)C(=O)c1ccc(C(=O)N2CCCNC(=O)c3ccc(c(=O)n3O)C(=O)N[C@@H]3COC[C@@H]3NC(=O)c3ccc(n(O)c3=O)C(=O)NCCCN(C(=O)c3ccc(C(=O)C(C)C)c(=O)n3O)C(C(=O)NCCOCCN)CCC2)n(O)c1=O.CC(C)C(=O)c1ccc(C(=O)N2CCCNC(=O)c3ccc(c(=O)n3O)C(=O)N[C@@H]3COC[C@@H]3NC(=O)c3ccc(n(O)c3=O)C(=O)NCCCN(C(=O)c3ccc(C(=O)C(C)C)n(O)c3=O)C(C(=O)NCCOCCN)CCC2)c(=O)n1O.COCCOCCN.NC1C(O)OC(CO)C(O)C1O.NCCOCCN.

What is the InChIKey of 2-(2-aminoethoxy)ethanamine;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-5-(2-methylpropanoyl)-6-oxopyridine-2-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;2-(2-methoxyethoxy)ethanamine?

The InChIKey is JDSLATAVWCTPOO-JZVJPPCISA-N. The full InChI is InChI=1S/2C53H66N12O19.C6H13NO5.C5H13NO2.C4H12N2O/c1-28(2)41(66)36-13-11-32(52(77)62(36)79)48(73)60-21-5-8-38(45(70)57-20-25-83-24-17-54)61(49(74)33-12-14-37(42(67)29(3)4)63(80)53(33)78)23-7-19-56-47(72)40-16-10-31(51(76)65(40)82)44(69)59-35-27-84-26-34(35)58-43(68)30-9-15-39(64(81)50(30)75)46(71)55-18-6-22-60;1-28(2)41(66)30-9-15-39(64(81)48(30)73)52(77)60-21-5-8-36(45(70)57-20-25-83-24-17-54)61(53(78)40-16-10-31(42(67)29(3)4)49(74)65(40)82)23-7-19-56-47(72)38-14-12-33(51(76)63(38)80)44(69)59-35-27-84-26-34(35)58-43(68)32-11-13-37(62(79)50(32)75)46(71)55-18-6-22-60;7-3-5(10)4(9)2(1-8)12-6(3)11;1-7-4-5-8-3-2-6;5-1-3-7-4-2-6/h9-16,28-29,34-35,38,79-82H,5-8,17-27,54H2,1-4H3,(H,55,71)(H,56,72)(H,57,70)(H,58,68)(H,59,69);9-16,28-29,34-36,79-82H,5-8,17-27,54H2,1-4H3,(H,55,71)(H,56,72)(H,57,70)(H,58,68)(H,59,69);2-6,8-11H,1,7H2;2-6H2,1H3;1-6H2/t34-,35+,38?;34-,35+,36?;;;/m11.../s1.

What are the key properties of 2-(2-aminoethoxy)ethanamine;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-5-(2-methylpropanoyl)-6-oxopyridine-2-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;2-(2-methoxyethoxy)ethanamine?

2-(2-aminoethoxy)ethanamine;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-5-(2-methylpropanoyl)-6-oxopyridine-2-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;2-(2-methoxyethoxy)ethanamine has a molecular weight of 2752.84 g/mol, XLogP of -9.40, 34 rotatable bonds, 28 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethoxy)ethanamine;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-5-(2-methylpropanoyl)-6-oxopyridine-2-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;(4S,8R)-N-[2-(2-aminoethoxy)ethyl]-13,32-dihydroxy-20,25-bis[1-hydroxy-6-(2-methylpropanoyl)-2-oxopyridine-3-carbonyl]-2,10,12,15,30,33-hexaoxo-6-oxa-3,9,13,16,20,25,29,32-octazatetracyclo[29.2.2.211,14.04,8]heptatriaconta-1(34),11(37),14(36),31(35)-tetraene-21-carboxamide;3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 158886712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).