(2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride

C228H366Cl4N26O32 — CID 159991418

IUPAC(2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride
SMILESC.C.C.C1CCOC1.C1CCOC1.CC.CC1=N[C@H](c2ccccc2)COC1=O.CCCC[C@@](C)(N)CCC(C)=O.CCCC[C@@](C)(N)CO.CCCC[C@@]1(C)N[C@H](c2ccccc2)COC1=O.CCCC[C@](C)(C=O)NC(=O)OC(C)(C)C.CCCC[C@](C)(CCC(C)=O)Nc1nc(Cl)nc2ccccc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2ccccc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2ccccc12.CCCC[C@](C)(CN(Cc1ccccc1)C(C)=O)NC(=O)OC(C)(C)C.CCCC[C@](C)(CNCc1ccccc1)NC(=O)OC(C)(C)C.CCCC[C@](C)(CO)NC(=O)OC(C)(C)C.CCCC[C@](C)(CO)N[C@@H](CO)c1ccccc1.CCOC(=O)C(C)=O.COc1ccc(CN)c(OC)c1.Cl.Clc1nc(Cl)c2ccccc2n1.N[C@@H](CO)c1ccccc1
InChIInChI=1S/C27H36N4O3.C21H34N2O3.C19H32N2O2.C18H24ClN3O.C18H26N4O.C15H21NO2.C15H25NO2.C12H25NO3.C12H23NO3.C11H11NO2.C10H21NO.C9H13NO2.C8H4Cl2N2.C8H11NO.C7H17NO.C5H8O3.2C4H8O.C2H6.3CH4.ClH/c1-6-7-15-27(3,16-14-19(2)32)31-25-22-10-8-9-11-23(22)29-26(30-25)28-18-20-12-13-21(33-4)17-24(20)34-5;1-7-8-14-21(6,22-19(25)26-20(3,4)5)16-23(17(2)24)15-18-12-10-9-11-13-18;1-6-7-13-19(5,21-17(22)23-18(2,3)4)15-20-14-16-11-9-8-10-12-16;2*1-4-5-11-18(3,12-10-13(2)23)22-16-14-8-6-7-9-15(14)20-17(19)21-16;1-3-4-10-15(2)14(17)18-11-13(16-15)12-8-6-5-7-9-12;1-3-4-10-15(2,12-18)16-14(11-17)13-8-6-5-7-9-13;2*1-6-7-8-12(5,9-14)13-10(15)16-11(2,3)4;1-8-11(13)14-7-10(12-8)9-5-3-2-4-6-9;1-4-5-7-10(3,11)8-6-9(2)12;1-11-8-4-3-7(6-10)9(5-8)12-2;9-7-5-3-1-2-4-6(5)11-8(10)12-7;9-8(6-10)7-4-2-1-3-5-7;1-3-4-5-7(2,8)6-9;1-3-8-5(7)4(2)6;2*1-2-4-5-3-1;1-2;;;;/h8-13,17H,6-7,14-16,18H2,1-5H3,(H2,28,29,30,31);9-13H,7-8,14-16H2,1-6H3,(H,22,25);8-12,20H,6-7,13-15H2,1-5H3,(H,21,22);6-9H,4-5,10-12H2,1-3H3,(H,20,21,22);6-9H,4-5,10-12H2,1-3H3,(H3,19,20,21,22);5-9,13,16H,3-4,10-11H2,1-2H3;5-9,14,16-18H,3-4,10-12H2,1-2H3;14H,6-9H2,1-5H3,(H,13,15);9H,6-8H2,1-5H3,(H,13,15);2-6,10H,7H2,1H3;4-8,11H2,1-3H3;3-5H,6,10H2,1-2H3;1-4H;1-5,8,10H,6,9H2;9H,3-6,8H2,1-2H3;3H2,1-2H3;2*1-4H2;1-2H3;3*1H4;1H/t27-;21-;19-;2*18-;13-,15+;14-,15+;2*12-;2*10-;;;8-;7-;;;;;;;;/m11111001101..01......../s1
InChIKeyHWZNFLMHOXSUJV-CGWAJUGDSA-N
MW4125.40 g/mol
LogP48.65
Rot. Bonds85

About (2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride

(2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride (PubChem CID 159991418) has the molecular formula C228H366Cl4N26O32 and a molecular weight of 4125.40 g/mol. Its IUPAC name is (2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride
PubChem CID159991418
Molecular FormulaC228H366Cl4N26O32
Molecular Weight4125.40 g/mol
Exact Mass4120.66
IUPAC Name(2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride
SMILESC.C.C.C1CCOC1.C1CCOC1.CC.CC1=N[C@H](c2ccccc2)COC1=O.CCCC[C@@](C)(N)CCC(C)=O.CCCC[C@@](C)(N)CO.CCCC[C@@]1(C)N[C@H](c2ccccc2)COC1=O.CCCC[C@](C)(C=O)NC(=O)OC(C)(C)C.CCCC[C@](C)(CCC(C)=O)Nc1nc(Cl)nc2ccccc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2ccccc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2ccccc12.CCCC[C@](C)(CN(Cc1ccccc1)C(C)=O)NC(=O)OC(C)(C)C.CCCC[C@](C)(CNCc1ccccc1)NC(=O)OC(C)(C)C.CCCC[C@](C)(CO)NC(=O)OC(C)(C)C.CCCC[C@](C)(CO)N[C@@H](CO)c1ccccc1.CCOC(=O)C(C)=O.COc1ccc(CN)c(OC)c1.Cl.Clc1nc(Cl)c2ccccc2n1.N[C@@H](CO)c1ccccc1
InChIInChI=1S/C27H36N4O3.C21H34N2O3.C19H32N2O2.C18H24ClN3O.C18H26N4O.C15H21NO2.C15H25NO2.C12H25NO3.C12H23NO3.C11H11NO2.C10H21NO.C9H13NO2.C8H4Cl2N2.C8H11NO.C7H17NO.C5H8O3.2C4H8O.C2H6.3CH4.ClH/c1-6-7-15-27(3,16-14-19(2)32)31-25-22-10-8-9-11-23(22)29-26(30-25)28-18-20-12-13-21(33-4)17-24(20)34-5;1-7-8-14-21(6,22-19(25)26-20(3,4)5)16-23(17(2)24)15-18-12-10-9-11-13-18;1-6-7-13-19(5,21-17(22)23-18(2,3)4)15-20-14-16-11-9-8-10-12-16;2*1-4-5-11-18(3,12-10-13(2)23)22-16-14-8-6-7-9-15(14)20-17(19)21-16;1-3-4-10-15(2)14(17)18-11-13(16-15)12-8-6-5-7-9-12;1-3-4-10-15(2,12-18)16-14(11-17)13-8-6-5-7-9-13;2*1-6-7-8-12(5,9-14)13-10(15)16-11(2,3)4;1-8-11(13)14-7-10(12-8)9-5-3-2-4-6-9;1-4-5-7-10(3,11)8-6-9(2)12;1-11-8-4-3-7(6-10)9(5-8)12-2;9-7-5-3-1-2-4-6(5)11-8(10)12-7;9-8(6-10)7-4-2-1-3-5-7;1-3-4-5-7(2,8)6-9;1-3-8-5(7)4(2)6;2*1-2-4-5-3-1;1-2;;;;/h8-13,17H,6-7,14-16,18H2,1-5H3,(H2,28,29,30,31);9-13H,7-8,14-16H2,1-6H3,(H,22,25);8-12,20H,6-7,13-15H2,1-5H3,(H,21,22);6-9H,4-5,10-12H2,1-3H3,(H,20,21,22);6-9H,4-5,10-12H2,1-3H3,(H3,19,20,21,22);5-9,13,16H,3-4,10-11H2,1-2H3;5-9,14,16-18H,3-4,10-12H2,1-2H3;14H,6-9H2,1-5H3,(H,13,15);9H,6-8H2,1-5H3,(H,13,15);2-6,10H,7H2,1H3;4-8,11H2,1-3H3;3-5H,6,10H2,1-2H3;1-4H;1-5,8,10H,6,9H2;9H,3-6,8H2,1-2H3;3H2,1-2H3;2*1-4H2;1-2H3;3*1H4;1H/t27-;21-;19-;2*18-;13-,15+;14-,15+;2*12-;2*10-;;;8-;7-;;;;;;;;/m11111001101..01......../s1
InChIKeyHWZNFLMHOXSUJV-CGWAJUGDSA-N
XLogP48.65
TPSA841.27 Ų
H-Bond Donors21
H-Bond Acceptors53
Rotatable Bonds85
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004125.40
LogP ≤ 548.65
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1053

Analyze (2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride?
The IUPAC name of (2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride (CID 159991418) is (2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride is C.C.C.C1CCOC1.C1CCOC1.CC.CC1=N[C@H](c2ccccc2)COC1=O.CCCC[C@@](C)(N)CCC(C)=O.CCCC[C@@](C)(N)CO.CCCC[C@@]1(C)N[C@H](c2ccccc2)COC1=O.CCCC[C@](C)(C=O)NC(=O)OC(C)(C)C.CCCC[C@](C)(CCC(C)=O)Nc1nc(Cl)nc2ccccc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2ccccc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2ccccc12.CCCC[C@](C)(CN(Cc1ccccc1)C(C)=O)NC(=O)OC(C)(C)C.CCCC[C@](C)(CNCc1ccccc1)NC(=O)OC(C)(C)C.CCCC[C@](C)(CO)NC(=O)OC(C)(C)C.CCCC[C@](C)(CO)N[C@@H](CO)c1ccccc1.CCOC(=O)C(C)=O.COc1ccc(CN)c(OC)c1.Cl.Clc1nc(Cl)c2ccccc2n1.N[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride?
The InChIKey is HWZNFLMHOXSUJV-CGWAJUGDSA-N. The full InChI is InChI=1S/C27H36N4O3.C21H34N2O3.C19H32N2O2.C18H24ClN3O.C18H26N4O.C15H21NO2.C15H25NO2.C12H25NO3.C12H23NO3.C11H11NO2.C10H21NO.C9H13NO2.C8H4Cl2N2.C8H11NO.C7H17NO.C5H8O3.2C4H8O.C2H6.3CH4.ClH/c1-6-7-15-27(3,16-14-19(2)32)31-25-22-10-8-9-11-23(22)29-26(30-25)28-18-20-12-13-21(33-4)17-24(20)34-5;1-7-8-14-21(6,22-19(25)26-20(3,4)5)16-23(17(2)24)15-18-12-10-9-11-13-18;1-6-7-13-19(5,21-17(22)23-18(2,3)4)15-20-14-16-11-9-8-10-12-16;2*1-4-5-11-18(3,12-10-13(2)23)22-16-14-8-6-7-9-15(14)20-17(19)21-16;1-3-4-10-15(2)14(17)18-11-13(16-15)12-8-6-5-7-9-12;1-3-4-10-15(2,12-18)16-14(11-17)13-8-6-5-7-9-13;2*1-6-7-8-12(5,9-14)13-10(15)16-11(2,3)4;1-8-11(13)14-7-10(12-8)9-5-3-2-4-6-9;1-4-5-7-10(3,11)8-6-9(2)12;1-11-8-4-3-7(6-10)9(5-8)12-2;9-7-5-3-1-2-4-6(5)11-8(10)12-7;9-8(6-10)7-4-2-1-3-5-7;1-3-4-5-7(2,8)6-9;1-3-8-5(7)4(2)6;2*1-2-4-5-3-1;1-2;;;;/h8-13,17H,6-7,14-16,18H2,1-5H3,(H2,28,29,30,31);9-13H,7-8,14-16H2,1-6H3,(H,22,25);8-12,20H,6-7,13-15H2,1-5H3,(H,21,22);6-9H,4-5,10-12H2,1-3H3,(H,20,21,22);6-9H,4-5,10-12H2,1-3H3,(H3,19,20,21,22);5-9,13,16H,3-4,10-11H2,1-2H3;5-9,14,16-18H,3-4,10-12H2,1-2H3;14H,6-9H2,1-5H3,(H,13,15);9H,6-8H2,1-5H3,(H,13,15);2-6,10H,7H2,1H3;4-8,11H2,1-3H3;3-5H,6,10H2,1-2H3;1-4H;1-5,8,10H,6,9H2;9H,3-6,8H2,1-2H3;3H2,1-2H3;2*1-4H2;1-2H3;3*1H4;1H/t27-;21-;19-;2*18-;13-,15+;14-,15+;2*12-;2*10-;;;8-;7-;;;;;;;;/m11111001101..01......../s1.
What are the key properties of (2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride?
(2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride has a molecular weight of 4125.40 g/mol, XLogP of 48.65, 85 rotatable bonds, 21 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-methylhexan-1-ol;(5R)-5-amino-5-methylnonan-2-one;(2R)-2-amino-2-phenylethanol;(5R)-5-[(2-aminoquinazolin-4-yl)amino]-5-methylnonan-2-one;tert-butyl N-[(2R)-1-[acetyl(benzyl)amino]-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-(benzylamino)-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-1-hydroxy-2-methylhexan-2-yl]carbamate;tert-butyl N-[(2R)-2-methyl-1-oxohexan-2-yl]carbamate;(3R,5R)-3-butyl-3-methyl-5-phenylmorpholin-2-one;(5R)-5-[(2-chloroquinazolin-4-yl)amino]-5-methylnonan-2-one;2,4-dichloroquinazoline;(2,4-dimethoxyphenyl)methanamine;(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-5-methylnonan-2-one;ethane;ethyl 2-oxopropanoate;(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-methylhexan-1-ol;methane;(3R)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one;oxolane;hydrochloride is sourced from PubChem (CID 159991418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).