7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;7-bromo-2-[4-(dimethylamino)cyclohexyl]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;[4-(7-bromo-5-methoxycarbonyl-2,4-dimethyl-1,3-benzodioxol-2-yl)cyclohexyl]carbamic acid;methyl 2-(4-aminocyclohexyl)-7-bromo-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;methyl 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;2-methylpropane

C103H140Br5N7O22 — CID 160563880

About 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;7-bromo-2-[4-(dimethylamino)cyclohexyl]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;[4-(7-bromo-5-methoxycarbonyl-2,4-dimethyl-1,3-benzodioxol-2-yl)cyclohexyl]carbamic acid;methyl 2-(4-aminocyclohexyl)-7-bromo-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;methyl 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;2-methylpropane

7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;7-bromo-2-[4-(dimethylamino)cyclohexyl]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;[4-(7-bromo-5-methoxycarbonyl-2,4-dimethyl-1,3-benzodioxol-2-yl)cyclohexyl]carbamic acid;methyl 2-(4-aminocyclohexyl)-7-bromo-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;methyl 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;2-methylpropane (PubChem CID 160563880) has the molecular formula C103H140Br5N7O22 and a molecular weight of 2227.80 g/mol. Its IUPAC name is 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;7-bromo-2-[4-(dimethylamino)cyclohexyl]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;[4-(7-bromo-5-methoxycarbonyl-2,4-dimethyl-1,3-benzodioxol-2-yl)cyclohexyl]carbamic acid;methyl 2-(4-aminocyclohexyl)-7-bromo-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;methyl 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;2-methylpropane.

Molecular Properties

• Compound Name: 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;7-bromo-2-[4-(dimethylamino)cyclohexyl]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;[4-(7-bromo-5-methoxycarbonyl-2,4-dimethyl-1,3-benzodioxol-2-yl)cyclohexyl]carbamic acid;methyl 2-(4-aminocyclohexyl)-7-bromo-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;methyl 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;2-methylpropane
• PubChem CID: 160563880
• Molecular Formula: C103H140Br5N7O22
• Molecular Weight: 2227.80 g/mol
• Exact Mass: 2221.60
• IUPAC Name: 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;7-bromo-2-[4-(dimethylamino)cyclohexyl]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;[4-(7-bromo-5-methoxycarbonyl-2,4-dimethyl-1,3-benzodioxol-2-yl)cyclohexyl]carbamic acid;methyl 2-(4-aminocyclohexyl)-7-bromo-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;methyl 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;2-methylpropane
• SMILES: CC(C)C.CCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Br)c2c(c1C)OC(C)(C1CCC(N(C)C)CC1)O2.COC(=O)c1cc(Br)c2c(c1C)OC(C)(C1CCC(N(C)C)CC1)O2.COC(=O)c1cc(Br)c2c(c1C)OC(C)(C1CCC(N)CC1)O2.COC(=O)c1cc(Br)c2c(c1C)OC(C)(C1CCC(NC(=O)O)CC1)O2.Cc1c(C(=O)O)cc(Br)c2c1OC(C)(C1CCC(N(C)C)CC1)O2
• InChI: InChI=1S/C27H36BrN3O4.C19H26BrNO4.C18H22BrNO6.C18H24BrNO4.C17H22BrNO4.C4H10/c1-7-17-12-15(2)30-26(33)21(17)14-29-25(32)20-13-22(28)24-23(16(20)3)34-27(4,35-24)18-8-10-19(11-9-18)31(5)6;1-11-14(18(22)23-5)10-15(20)17-16(11)24-19(2,25-17)12-6-8-13(9-7-12)21(3)4;1-9-12(16(21)24-3)8-13(19)15-14(9)25-18(2,26-15)10-4-6-11(7-5-10)20-17(22)23;1-10-13(17(21)22)9-14(19)16-15(10)23-18(2,24-16)11-5-7-12(8-6-11)20(3)4;1-9-12(16(20)21-3)8-13(18)15-14(9)22-17(2,23-15)10-4-6-11(19)7-5-10;1-4(2)3/h12-13,18-19H,7-11,14H2,1-6H3,(H,29,32)(H,30,33);10,12-13H,6-9H2,1-5H3;8,10-11,20H,4-7H2,1-3H3,(H,22,23);9,11-12H,5-8H2,1-4H3,(H,21,22);8,10-11H,4-7,19H2,1-3H3;4H,1-3H3
• InChIKey: QZRBRQXZDRYAIW-UHFFFAOYSA-N
• XLogP: 22.14
• TPSA: 355.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2227.80
LogP ≤ 5	22.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;7-bromo-2-[4-(dimethylamino)cyclohexyl]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;[4-(7-bromo-5-methoxycarbonyl-2,4-dimethyl-1,3-benzodioxol-2-yl)cyclohexyl]carbamic acid;methyl 2-(4-aminocyclohexyl)-7-bromo-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;methyl 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;2-methylpropane?

The IUPAC name of 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;7-bromo-2-[4-(dimethylamino)cyclohexyl]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;[4-(7-bromo-5-methoxycarbonyl-2,4-dimethyl-1,3-benzodioxol-2-yl)cyclohexyl]carbamic acid;methyl 2-(4-aminocyclohexyl)-7-bromo-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;methyl 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;2-methylpropane (CID 160563880) is 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;7-bromo-2-[4-(dimethylamino)cyclohexyl]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;[4-(7-bromo-5-methoxycarbonyl-2,4-dimethyl-1,3-benzodioxol-2-yl)cyclohexyl]carbamic acid;methyl 2-(4-aminocyclohexyl)-7-bromo-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;methyl 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;2-methylpropane.

What is the SMILES notation for 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;7-bromo-2-[4-(dimethylamino)cyclohexyl]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;[4-(7-bromo-5-methoxycarbonyl-2,4-dimethyl-1,3-benzodioxol-2-yl)cyclohexyl]carbamic acid;methyl 2-(4-aminocyclohexyl)-7-bromo-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;methyl 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;2-methylpropane?

The canonical SMILES for 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;7-bromo-2-[4-(dimethylamino)cyclohexyl]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;[4-(7-bromo-5-methoxycarbonyl-2,4-dimethyl-1,3-benzodioxol-2-yl)cyclohexyl]carbamic acid;methyl 2-(4-aminocyclohexyl)-7-bromo-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;methyl 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;2-methylpropane is CC(C)C.CCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Br)c2c(c1C)OC(C)(C1CCC(N(C)C)CC1)O2.COC(=O)c1cc(Br)c2c(c1C)OC(C)(C1CCC(N(C)C)CC1)O2.COC(=O)c1cc(Br)c2c(c1C)OC(C)(C1CCC(N)CC1)O2.COC(=O)c1cc(Br)c2c(c1C)OC(C)(C1CCC(NC(=O)O)CC1)O2.Cc1c(C(=O)O)cc(Br)c2c1OC(C)(C1CCC(N(C)C)CC1)O2.

What is the InChIKey of 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;7-bromo-2-[4-(dimethylamino)cyclohexyl]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;[4-(7-bromo-5-methoxycarbonyl-2,4-dimethyl-1,3-benzodioxol-2-yl)cyclohexyl]carbamic acid;methyl 2-(4-aminocyclohexyl)-7-bromo-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;methyl 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;2-methylpropane?

The InChIKey is QZRBRQXZDRYAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36BrN3O4.C19H26BrNO4.C18H22BrNO6.C18H24BrNO4.C17H22BrNO4.C4H10/c1-7-17-12-15(2)30-26(33)21(17)14-29-25(32)20-13-22(28)24-23(16(20)3)34-27(4,35-24)18-8-10-19(11-9-18)31(5)6;1-11-14(18(22)23-5)10-15(20)17-16(11)24-19(2,25-17)12-6-8-13(9-7-12)21(3)4;1-9-12(16(21)24-3)8-13(19)15-14(9)25-18(2,26-15)10-4-6-11(7-5-10)20-17(22)23;1-10-13(17(21)22)9-14(19)16-15(10)23-18(2,24-16)11-5-7-12(8-6-11)20(3)4;1-9-12(16(20)21-3)8-13(18)15-14(9)22-17(2,23-15)10-4-6-11(19)7-5-10;1-4(2)3/h12-13,18-19H,7-11,14H2,1-6H3,(H,29,32)(H,30,33);10,12-13H,6-9H2,1-5H3;8,10-11,20H,4-7H2,1-3H3,(H,22,23);9,11-12H,5-8H2,1-4H3,(H,21,22);8,10-11H,4-7,19H2,1-3H3;4H,1-3H3.

What are the key properties of 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;7-bromo-2-[4-(dimethylamino)cyclohexyl]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;[4-(7-bromo-5-methoxycarbonyl-2,4-dimethyl-1,3-benzodioxol-2-yl)cyclohexyl]carbamic acid;methyl 2-(4-aminocyclohexyl)-7-bromo-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;methyl 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;2-methylpropane?

7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;7-bromo-2-[4-(dimethylamino)cyclohexyl]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;[4-(7-bromo-5-methoxycarbonyl-2,4-dimethyl-1,3-benzodioxol-2-yl)cyclohexyl]carbamic acid;methyl 2-(4-aminocyclohexyl)-7-bromo-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;methyl 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;2-methylpropane has a molecular weight of 2227.80 g/mol, XLogP of 22.14, 17 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylic acid;7-bromo-2-[4-(dimethylamino)cyclohexyl]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxamide;[4-(7-bromo-5-methoxycarbonyl-2,4-dimethyl-1,3-benzodioxol-2-yl)cyclohexyl]carbamic acid;methyl 2-(4-aminocyclohexyl)-7-bromo-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;methyl 7-bromo-2-[4-(dimethylamino)cyclohexyl]-2,4-dimethyl-1,3-benzodioxole-5-carboxylate;2-methylpropane is sourced from PubChem (CID 160563880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).