magnesium;carbanide;N-cyclohexylidene-2-methylpropane-2-sulfinamide;N-cyclohexyl-2-methylpropane-2-sulfinamide;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-methylcyclohexyl)methyl]pyrimidine-5-carboxylate;hydroxylamine;2-hydroxy-1-[2-[(1-methylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;1-methylcyclohexan-1-amine;bromide;hydrochloride

C64H111BrCl2MgN10O9S2 — CID 161489079

About magnesium;carbanide;N-cyclohexylidene-2-methylpropane-2-sulfinamide;N-cyclohexyl-2-methylpropane-2-sulfinamide;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-methylcyclohexyl)methyl]pyrimidine-5-carboxylate;hydroxylamine;2-hydroxy-1-[2-[(1-methylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;1-methylcyclohexan-1-amine;bromide;hydrochloride

magnesium;carbanide;N-cyclohexylidene-2-methylpropane-2-sulfinamide;N-cyclohexyl-2-methylpropane-2-sulfinamide;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-methylcyclohexyl)methyl]pyrimidine-5-carboxylate;hydroxylamine;2-hydroxy-1-[2-[(1-methylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;1-methylcyclohexan-1-amine;bromide;hydrochloride (PubChem CID 161489079) has the molecular formula C64H111BrCl2MgN10O9S2 and a molecular weight of 1403.90 g/mol. Its IUPAC name is magnesium;carbanide;N-cyclohexylidene-2-methylpropane-2-sulfinamide;N-cyclohexyl-2-methylpropane-2-sulfinamide;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-methylcyclohexyl)methyl]pyrimidine-5-carboxylate;hydroxylamine;2-hydroxy-1-[2-[(1-methylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;1-methylcyclohexan-1-amine;bromide;hydrochloride.

Molecular Properties

• Compound Name: magnesium;carbanide;N-cyclohexylidene-2-methylpropane-2-sulfinamide;N-cyclohexyl-2-methylpropane-2-sulfinamide;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-methylcyclohexyl)methyl]pyrimidine-5-carboxylate;hydroxylamine;2-hydroxy-1-[2-[(1-methylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;1-methylcyclohexan-1-amine;bromide;hydrochloride
• PubChem CID: 161489079
• Molecular Formula: C64H111BrCl2MgN10O9S2
• Molecular Weight: 1403.90 g/mol
• Exact Mass: 1400.64
• IUPAC Name: magnesium;carbanide;N-cyclohexylidene-2-methylpropane-2-sulfinamide;N-cyclohexyl-2-methylpropane-2-sulfinamide;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-methylcyclohexyl)methyl]pyrimidine-5-carboxylate;hydroxylamine;2-hydroxy-1-[2-[(1-methylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;1-methylcyclohexan-1-amine;bromide;hydrochloride
• SMILES: CC(C)(C)S(=O)N=C1CCCCC1.CC(C)(C)S(=O)NC1CCCCC1.CC1(Cc2ncc(C(=O)CO)cn2)CCCCC1.CC1(N)CCCCC1.CCOC(=O)c1cnc(CC2(C)CCCCC2)nc1.CCOC(=O)c1cnc(Cl)nc1.Cl.NO.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C15H22N2O2.C14H20N2O2.C10H21NOS.C10H19NOS.C7H7ClN2O2.C7H15N.CH3.BrH.ClH.Mg.H3NO/c1-3-19-14(18)12-10-16-13(17-11-12)9-15(2)7-5-4-6-8-15;1-14(5-3-2-4-6-14)7-13-15-8-11(9-16-13)12(18)10-17;2*1-10(2,3)13(12)11-9-7-5-4-6-8-9;1-2-12-6(11)5-3-9-7(8)10-4-5;1-7(8)5-3-2-4-6-7;;;;;1-2/h10-11H,3-9H2,1-2H3;8-9,17H,2-7,10H2,1H3;9,11H,4-8H2,1-3H3;4-8H2,1-3H3;3-4H,2H2,1H3;2-6,8H2,1H3;1H3;2*1H;;2H,1H2/q;;;;;;-1;;;+2;/p-1
• InChIKey: XDBTZKAODZOMFE-UHFFFAOYSA-M
• XLogP: 10.36
• TPSA: 298.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1403.90
LogP ≤ 5	10.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;N-cyclohexylidene-2-methylpropane-2-sulfinamide;N-cyclohexyl-2-methylpropane-2-sulfinamide;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-methylcyclohexyl)methyl]pyrimidine-5-carboxylate;hydroxylamine;2-hydroxy-1-[2-[(1-methylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;1-methylcyclohexan-1-amine;bromide;hydrochloride?

The IUPAC name of magnesium;carbanide;N-cyclohexylidene-2-methylpropane-2-sulfinamide;N-cyclohexyl-2-methylpropane-2-sulfinamide;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-methylcyclohexyl)methyl]pyrimidine-5-carboxylate;hydroxylamine;2-hydroxy-1-[2-[(1-methylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;1-methylcyclohexan-1-amine;bromide;hydrochloride (CID 161489079) is magnesium;carbanide;N-cyclohexylidene-2-methylpropane-2-sulfinamide;N-cyclohexyl-2-methylpropane-2-sulfinamide;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-methylcyclohexyl)methyl]pyrimidine-5-carboxylate;hydroxylamine;2-hydroxy-1-[2-[(1-methylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;1-methylcyclohexan-1-amine;bromide;hydrochloride.

What is the SMILES notation for magnesium;carbanide;N-cyclohexylidene-2-methylpropane-2-sulfinamide;N-cyclohexyl-2-methylpropane-2-sulfinamide;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-methylcyclohexyl)methyl]pyrimidine-5-carboxylate;hydroxylamine;2-hydroxy-1-[2-[(1-methylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;1-methylcyclohexan-1-amine;bromide;hydrochloride?

The canonical SMILES for magnesium;carbanide;N-cyclohexylidene-2-methylpropane-2-sulfinamide;N-cyclohexyl-2-methylpropane-2-sulfinamide;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-methylcyclohexyl)methyl]pyrimidine-5-carboxylate;hydroxylamine;2-hydroxy-1-[2-[(1-methylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;1-methylcyclohexan-1-amine;bromide;hydrochloride is CC(C)(C)S(=O)N=C1CCCCC1.CC(C)(C)S(=O)NC1CCCCC1.CC1(Cc2ncc(C(=O)CO)cn2)CCCCC1.CC1(N)CCCCC1.CCOC(=O)c1cnc(CC2(C)CCCCC2)nc1.CCOC(=O)c1cnc(Cl)nc1.Cl.NO.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;carbanide;N-cyclohexylidene-2-methylpropane-2-sulfinamide;N-cyclohexyl-2-methylpropane-2-sulfinamide;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-methylcyclohexyl)methyl]pyrimidine-5-carboxylate;hydroxylamine;2-hydroxy-1-[2-[(1-methylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;1-methylcyclohexan-1-amine;bromide;hydrochloride?

The InChIKey is XDBTZKAODZOMFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H22N2O2.C14H20N2O2.C10H21NOS.C10H19NOS.C7H7ClN2O2.C7H15N.CH3.BrH.ClH.Mg.H3NO/c1-3-19-14(18)12-10-16-13(17-11-12)9-15(2)7-5-4-6-8-15;1-14(5-3-2-4-6-14)7-13-15-8-11(9-16-13)12(18)10-17;2*1-10(2,3)13(12)11-9-7-5-4-6-8-9;1-2-12-6(11)5-3-9-7(8)10-4-5;1-7(8)5-3-2-4-6-7;;;;;1-2/h10-11H,3-9H2,1-2H3;8-9,17H,2-7,10H2,1H3;9,11H,4-8H2,1-3H3;4-8H2,1-3H3;3-4H,2H2,1H3;2-6,8H2,1H3;1H3;2*1H;;2H,1H2/q;;;;;;-1;;;+2;/p-1.

What are the key properties of magnesium;carbanide;N-cyclohexylidene-2-methylpropane-2-sulfinamide;N-cyclohexyl-2-methylpropane-2-sulfinamide;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-methylcyclohexyl)methyl]pyrimidine-5-carboxylate;hydroxylamine;2-hydroxy-1-[2-[(1-methylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;1-methylcyclohexan-1-amine;bromide;hydrochloride?

magnesium;carbanide;N-cyclohexylidene-2-methylpropane-2-sulfinamide;N-cyclohexyl-2-methylpropane-2-sulfinamide;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-methylcyclohexyl)methyl]pyrimidine-5-carboxylate;hydroxylamine;2-hydroxy-1-[2-[(1-methylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;1-methylcyclohexan-1-amine;bromide;hydrochloride has a molecular weight of 1403.90 g/mol, XLogP of 10.36, 13 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;carbanide;N-cyclohexylidene-2-methylpropane-2-sulfinamide;N-cyclohexyl-2-methylpropane-2-sulfinamide;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-methylcyclohexyl)methyl]pyrimidine-5-carboxylate;hydroxylamine;2-hydroxy-1-[2-[(1-methylcyclohexyl)methyl]pyrimidin-5-yl]ethanone;1-methylcyclohexan-1-amine;bromide;hydrochloride is sourced from PubChem (CID 161489079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).