(5R)-5-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)-2-methyl-1-oxohexan-2-yl]carbamate;(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;methane;oxolane;hydrochloride

C131H206Cl4N16O16 — CID 157428487

About (5R)-5-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)-2-methyl-1-oxohexan-2-yl]carbamate;(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;methane;oxolane;hydrochloride

(5R)-5-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)-2-methyl-1-oxohexan-2-yl]carbamate;(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;methane;oxolane;hydrochloride (PubChem CID 157428487) has the molecular formula C131H206Cl4N16O16 and a molecular weight of 2403.00 g/mol. Its IUPAC name is (5R)-5-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)-2-methyl-1-oxohexan-2-yl]carbamate;(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;methane;oxolane;hydrochloride.

Molecular Properties

• Compound Name: (5R)-5-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)-2-methyl-1-oxohexan-2-yl]carbamate;(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;methane;oxolane;hydrochloride
• PubChem CID: 157428487
• Molecular Formula: C131H206Cl4N16O16
• Molecular Weight: 2403.00 g/mol
• Exact Mass: 2399.46
• IUPAC Name: (5R)-5-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)-2-methyl-1-oxohexan-2-yl]carbamate;(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;methane;oxolane;hydrochloride
• SMILES: C.C1CCOC1.CC.CCCC[C@@](C)(N)CCC(C)=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(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.COc1ccc(CN)c(OC)c1.Cl.Clc1nc(Cl)c2ccccc2n1
• InChI: InChI=1S/C27H36N4O3.C21H34N2O3.C19H32N2O2.C18H24ClN3O.C12H23NO3.C10H21NO.C9H13NO2.C8H4Cl2N2.C4H8O.C2H6.CH4.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;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;1-6-7-8-12(5,9-14)13-10(15)16-11(2,3)4;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;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);9H,6-8H2,1-5H3,(H,13,15);4-8,11H2,1-3H3;3-5H,6,10H2,1-2H3;1-4H;1-4H2;1-2H3;1H4;1H/t27-;21-;19-;18-;12-;10-;;;;;;/m111111....../s1
• InChIKey: WNCVXCHMDUEQAC-ZAGCIJOTSA-N
• XLogP: 31.66
• TPSA: 427.23 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 51
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2403.00
LogP ≤ 5	31.66
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': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-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)-2-methyl-1-oxohexan-2-yl]carbamate;(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;methane;oxolane;hydrochloride?

The IUPAC name of (5R)-5-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)-2-methyl-1-oxohexan-2-yl]carbamate;(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;methane;oxolane;hydrochloride (CID 157428487) is (5R)-5-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)-2-methyl-1-oxohexan-2-yl]carbamate;(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;methane;oxolane;hydrochloride.

What is the SMILES notation for (5R)-5-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)-2-methyl-1-oxohexan-2-yl]carbamate;(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;methane;oxolane;hydrochloride?

The canonical SMILES for (5R)-5-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)-2-methyl-1-oxohexan-2-yl]carbamate;(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;methane;oxolane;hydrochloride is C.C1CCOC1.CC.CCCC[C@@](C)(N)CCC(C)=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(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.COc1ccc(CN)c(OC)c1.Cl.Clc1nc(Cl)c2ccccc2n1.

What is the InChIKey of (5R)-5-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)-2-methyl-1-oxohexan-2-yl]carbamate;(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;methane;oxolane;hydrochloride?

The InChIKey is WNCVXCHMDUEQAC-ZAGCIJOTSA-N. The full InChI is InChI=1S/C27H36N4O3.C21H34N2O3.C19H32N2O2.C18H24ClN3O.C12H23NO3.C10H21NO.C9H13NO2.C8H4Cl2N2.C4H8O.C2H6.CH4.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;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;1-6-7-8-12(5,9-14)13-10(15)16-11(2,3)4;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;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);9H,6-8H2,1-5H3,(H,13,15);4-8,11H2,1-3H3;3-5H,6,10H2,1-2H3;1-4H;1-4H2;1-2H3;1H4;1H/t27-;21-;19-;18-;12-;10-;;;;;;/m111111....../s1.

What are the key properties of (5R)-5-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)-2-methyl-1-oxohexan-2-yl]carbamate;(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;methane;oxolane;hydrochloride?

(5R)-5-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)-2-methyl-1-oxohexan-2-yl]carbamate;(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;methane;oxolane;hydrochloride has a molecular weight of 2403.00 g/mol, XLogP of 31.66, 51 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-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)-2-methyl-1-oxohexan-2-yl]carbamate;(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;methane;oxolane;hydrochloride is sourced from PubChem (CID 157428487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).