2-bromo-N,N-diethylethanamine;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-20-[2-(diethylamino)ethoxymethyl]-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;hydrobromide

C146H265Br2N19O27 — CID 159470426

About 2-bromo-N,N-diethylethanamine;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-20-[2-(diethylamino)ethoxymethyl]-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;hydrobromide

2-bromo-N,N-diethylethanamine;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-20-[2-(diethylamino)ethoxymethyl]-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;hydrobromide (PubChem CID 159470426) has the molecular formula C146H265Br2N19O27 and a molecular weight of 2878.64 g/mol. Its IUPAC name is 2-bromo-N,N-diethylethanamine;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-20-[2-(diethylamino)ethoxymethyl]-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;hydrobromide.

Molecular Properties

• Compound Name: 2-bromo-N,N-diethylethanamine;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-20-[2-(diethylamino)ethoxymethyl]-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;hydrobromide
• PubChem CID: 159470426
• Molecular Formula: C146H265Br2N19O27
• Molecular Weight: 2878.64 g/mol
• Exact Mass: 2874.83
• IUPAC Name: 2-bromo-N,N-diethylethanamine;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-20-[2-(diethylamino)ethoxymethyl]-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;hydrobromide
• SMILES: Br.C/C=C/C[C@@H](C)[C@@H](O)[C@@H]1C(=O)C[C@H](CC)C(=O)N(C)[C@H](CO)C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N1C.CCN(CC)CCBr.CC[C@H]1CC(=O)[C@@H]([C@H](O)[C@H](C)CCN2CCOCC2)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](COCCN(CC)CC)N(C)C1=O
• InChI: InChI=1S/C74H134N10O14.C66H116N8O13.C6H14BrN.BrH/c1-26-54-42-63(87)65(66(88)51(16)29-30-84-32-34-97-35-33-84)82(25)74(96)64(50(14)15)81(24)72(94)59(40-48(10)11)79(22)71(93)58(39-47(8)9)78(21)68(90)53(18)75-67(89)52(17)41-61(85)56(37-45(4)5)76(19)70(92)55(49(12)13)43-62(86)57(38-46(6)7)77(20)73(95)60(80(23)69(54)91)44-98-36-31-83(27-2)28-3;1-25-27-28-43(15)58(79)57-55(78)34-46(26-2)61(82)72(22)52(36-75)65(86)69(19)49(30-38(5)6)54(77)35-47(41(11)12)62(83)68(18)48(29-37(3)4)53(76)33-44(16)59(80)67-45(17)60(81)70(20)50(31-39(7)8)63(84)71(21)51(32-40(9)10)64(85)73(23)56(42(13)14)66(87)74(57)24;1-3-8(4-2)6-5-7;/h45-60,64-66,88H,26-44H2,1-25H3,(H,75,89);25,27,37-52,56-58,75,79H,26,28-36H2,1-24H3,(H,67,80);3-6H2,1-2H3;1H/b;27-25+;;/t51-,52+,53+,54+,55-,56+,57+,58-,59-,60-,64-,65+,66-;43-,44+,45+,46+,47-,48+,49+,50-,51-,52-,56-,57+,58-;;/m11../s1
• InChIKey: DWPIJBORJZTYKF-XGIRKJSCSA-N
• XLogP: 14.23
• TPSA: 533.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 43
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2878.64
LogP ≤ 5	14.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-diethylethanamine;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-20-[2-(diethylamino)ethoxymethyl]-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;hydrobromide?

The IUPAC name of 2-bromo-N,N-diethylethanamine;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-20-[2-(diethylamino)ethoxymethyl]-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;hydrobromide (CID 159470426) is 2-bromo-N,N-diethylethanamine;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-20-[2-(diethylamino)ethoxymethyl]-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;hydrobromide.

What is the SMILES notation for 2-bromo-N,N-diethylethanamine;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-20-[2-(diethylamino)ethoxymethyl]-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;hydrobromide?

The canonical SMILES for 2-bromo-N,N-diethylethanamine;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-20-[2-(diethylamino)ethoxymethyl]-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;hydrobromide is Br.C/C=C/C[C@@H](C)[C@@H](O)[C@@H]1C(=O)C[C@H](CC)C(=O)N(C)[C@H](CO)C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N1C.CCN(CC)CCBr.CC[C@H]1CC(=O)[C@@H]([C@H](O)[C@H](C)CCN2CCOCC2)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](COCCN(CC)CC)N(C)C1=O.

What is the InChIKey of 2-bromo-N,N-diethylethanamine;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-20-[2-(diethylamino)ethoxymethyl]-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;hydrobromide?

The InChIKey is DWPIJBORJZTYKF-XGIRKJSCSA-N. The full InChI is InChI=1S/C74H134N10O14.C66H116N8O13.C6H14BrN.BrH/c1-26-54-42-63(87)65(66(88)51(16)29-30-84-32-34-97-35-33-84)82(25)74(96)64(50(14)15)81(24)72(94)59(40-48(10)11)79(22)71(93)58(39-47(8)9)78(21)68(90)53(18)75-67(89)52(17)41-61(85)56(37-45(4)5)76(19)70(92)55(49(12)13)43-62(86)57(38-46(6)7)77(20)73(95)60(80(23)69(54)91)44-98-36-31-83(27-2)28-3;1-25-27-28-43(15)58(79)57-55(78)34-46(26-2)61(82)72(22)52(36-75)65(86)69(19)49(30-38(5)6)54(77)35-47(41(11)12)62(83)68(18)48(29-37(3)4)53(76)33-44(16)59(80)67-45(17)60(81)70(20)50(31-39(7)8)63(84)71(21)51(32-40(9)10)64(85)73(23)56(42(13)14)66(87)74(57)24;1-3-8(4-2)6-5-7;/h45-60,64-66,88H,26-44H2,1-25H3,(H,75,89);25,27,37-52,56-58,75,79H,26,28-36H2,1-24H3,(H,67,80);3-6H2,1-2H3;1H/b;27-25+;;/t51-,52+,53+,54+,55-,56+,57+,58-,59-,60-,64-,65+,66-;43-,44+,45+,46+,47-,48+,49+,50-,51-,52-,56-,57+,58-;;/m11../s1.

What are the key properties of 2-bromo-N,N-diethylethanamine;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-20-[2-(diethylamino)ethoxymethyl]-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;hydrobromide?

2-bromo-N,N-diethylethanamine;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-20-[2-(diethylamino)ethoxymethyl]-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;hydrobromide has a molecular weight of 2878.64 g/mol, XLogP of 14.23, 43 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N,N-diethylethanamine;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-20-[2-(diethylamino)ethoxymethyl]-17-ethyl-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29S,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;hydrobromide is sourced from PubChem (CID 159470426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).