About 4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-[(4-benzylpiperazin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;N'-[(4-benzylpyrrolidin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;tert-butyl 4-benzyl-2-formylpiperazine-1-carboxylate;tert-butyl 4-benzyl-2-formylpyrrolidine-1-carboxylate;tert-butyl 3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 2-hydroxypyrrolidine-1-carboxylate;ethane;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;N'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;(8S)-5,6,7,8-tetrahydroquinolin-8-amine
4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-[(4-benzylpiperazin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;N'-[(4-benzylpyrrolidin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;tert-butyl 4-benzyl-2-formylpiperazine-1-carboxylate;tert-butyl 4-benzyl-2-formylpyrrolidine-1-carboxylate;tert-butyl 3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 2-hydroxypyrrolidine-1-carboxylate;ethane;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;N'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;(8S)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 158969783) has the molecular formula C186H274N24O24
and a molecular weight of 3230.38 g/mol. Its IUPAC name is 4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-[(4-benzylpiperazin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;N'-[(4-benzylpyrrolidin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;tert-butyl 4-benzyl-2-formylpiperazine-1-carboxylate;tert-butyl 4-benzyl-2-formylpyrrolidine-1-carboxylate;tert-butyl 3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 2-hydroxypyrrolidine-1-carboxylate;ethane;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;N'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;(8S)-5,6,7,8-tetrahydroquinolin-8-amine.
Frequently Asked Questions
What is the IUPAC name of 4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-[(4-benzylpiperazin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;N'-[(4-benzylpyrrolidin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;tert-butyl 4-benzyl-2-formylpiperazine-1-carboxylate;tert-butyl 4-benzyl-2-formylpyrrolidine-1-carboxylate;tert-butyl 3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 2-hydroxypyrrolidine-1-carboxylate;ethane;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;N'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;(8S)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of 4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-[(4-benzylpiperazin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;N'-[(4-benzylpyrrolidin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;tert-butyl 4-benzyl-2-formylpiperazine-1-carboxylate;tert-butyl 4-benzyl-2-formylpyrrolidine-1-carboxylate;tert-butyl 3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 2-hydroxypyrrolidine-1-carboxylate;ethane;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;N'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;(8S)-5,6,7,8-tetrahydroquinolin-8-amine (CID 158969783) is 4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-[(4-benzylpiperazin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;N'-[(4-benzylpyrrolidin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;tert-butyl 4-benzyl-2-formylpiperazine-1-carboxylate;tert-butyl 4-benzyl-2-formylpyrrolidine-1-carboxylate;tert-butyl 3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 2-hydroxypyrrolidine-1-carboxylate;ethane;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;N'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;(8S)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for 4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-[(4-benzylpiperazin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;N'-[(4-benzylpyrrolidin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;tert-butyl 4-benzyl-2-formylpiperazine-1-carboxylate;tert-butyl 4-benzyl-2-formylpyrrolidine-1-carboxylate;tert-butyl 3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 2-hydroxypyrrolidine-1-carboxylate;ethane;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;N'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;(8S)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for 4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-[(4-benzylpiperazin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;N'-[(4-benzylpyrrolidin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;tert-butyl 4-benzyl-2-formylpiperazine-1-carboxylate;tert-butyl 4-benzyl-2-formylpyrrolidine-1-carboxylate;tert-butyl 3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 2-hydroxypyrrolidine-1-carboxylate;ethane;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;N'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;(8S)-5,6,7,8-tetrahydroquinolin-8-amine is C.C.CC.CC(C)(C)OC(=O)N1CC(Cc2ccccc2)CC1C(=O)O.CC(C)(C)OC(=O)N1CC(Cc2ccccc2)CC1C=O.CC(C)(C)OC(=O)N1CCCC1O.CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1C=O.CC(C)(C)OC(=O)N1CCNCC1C(=O)O.CC(C)(C)OC(=O)N1Cc2ccccc2CC1C(=O)O.CC(C)(C)OC(=O)N1Cc2ccccc2CC1C=O.NCCCCN(CC1CC(Cc2ccccc2)CN1)[C@H]1CCCc2cccnc21.NCCCCN(CC1CN(Cc2ccccc2)CCN1)[C@H]1CCCc2cccnc21.NCCCCN(CC1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21.N[C@H]1CCCc2cccnc21.
What is the InChIKey of 4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-[(4-benzylpiperazin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;N'-[(4-benzylpyrrolidin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;tert-butyl 4-benzyl-2-formylpiperazine-1-carboxylate;tert-butyl 4-benzyl-2-formylpyrrolidine-1-carboxylate;tert-butyl 3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 2-hydroxypyrrolidine-1-carboxylate;ethane;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;N'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;(8S)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is JNQSYGCAZQGNEW-DONJFCOZSA-N. The full InChI is InChI=1S/C25H37N5.C25H36N4.C23H32N4.C17H24N2O3.C17H23NO4.C17H23NO3.C15H19NO4.C15H19NO3.C10H18N2O4.C9H12N2.C9H17NO3.C2H6.2CH4/c26-13-4-5-16-30(24-12-6-10-22-11-7-14-28-25(22)24)20-23-19-29(17-15-27-23)18-21-8-2-1-3-9-21;26-13-4-5-15-29(24-12-6-10-22-11-7-14-27-25(22)24)19-23-17-21(18-28-23)16-20-8-2-1-3-9-20;24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21;1-17(2,3)22-16(21)19-10-9-18(12-15(19)13-20)11-14-7-5-4-6-8-14;1-17(2,3)22-16(21)18-11-13(10-14(18)15(19)20)9-12-7-5-4-6-8-12;1-17(2,3)21-16(20)18-11-14(10-15(18)12-19)9-13-7-5-4-6-8-13;1-15(2,3)20-14(19)16-9-11-7-5-4-6-10(11)8-12(16)13(17)18;1-15(2,3)19-14(18)16-9-12-7-5-4-6-11(12)8-13(16)10-17;1-10(2,3)16-9(15)12-5-4-11-6-7(12)8(13)14;10-8-5-1-3-7-4-2-6-11-9(7)8;1-9(2,3)13-8(12)10-6-4-5-7(10)11;1-2;;/h1-3,7-9,11,14,23-24,27H,4-6,10,12-13,15-20,26H2;1-3,7-9,11,14,21,23-24,28H,4-6,10,12-13,15-19,26H2;1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2;4-8,13,15H,9-12H2,1-3H3;4-8,13-14H,9-11H2,1-3H3,(H,19,20);4-8,12,14-15H,9-11H2,1-3H3;4-7,12H,8-9H2,1-3H3,(H,17,18);4-7,10,13H,8-9H2,1-3H3;7,11H,4-6H2,1-3H3,(H,13,14);2,4,6,8H,1,3,5,10H2;7,11H,4-6H2,1-3H3;1-2H3;2*1H4/t23?,24-;21?,23?,24-;21?,22-;;;;;;;8-;;;;/m000......0..../s1.
What are the key properties of 4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-[(4-benzylpiperazin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;N'-[(4-benzylpyrrolidin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;tert-butyl 4-benzyl-2-formylpiperazine-1-carboxylate;tert-butyl 4-benzyl-2-formylpyrrolidine-1-carboxylate;tert-butyl 3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 2-hydroxypyrrolidine-1-carboxylate;ethane;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;N'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;(8S)-5,6,7,8-tetrahydroquinolin-8-amine?
4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-[(4-benzylpiperazin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;N'-[(4-benzylpyrrolidin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;tert-butyl 4-benzyl-2-formylpiperazine-1-carboxylate;tert-butyl 4-benzyl-2-formylpyrrolidine-1-carboxylate;tert-butyl 3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 2-hydroxypyrrolidine-1-carboxylate;ethane;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;N'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;(8S)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 3230.38 g/mol, XLogP of 28.52, 37 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;N'-[(4-benzylpiperazin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;N'-[(4-benzylpyrrolidin-2-yl)methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;tert-butyl 4-benzyl-2-formylpiperazine-1-carboxylate;tert-butyl 4-benzyl-2-formylpyrrolidine-1-carboxylate;tert-butyl 3-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 2-hydroxypyrrolidine-1-carboxylate;ethane;methane;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;N'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;(8S)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 158969783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).