trimagnesium;1-[(1S)-1-amino-2-methylpropyl]cyclopentan-1-ol;butane;tert-butyl N-[(1S)-1-(1-hydroxycyclopentyl)-2-methylpropyl]carbamate;deuterioethane;1,4-dibromobutane;hydride;methane;methanol;methyl (2S)-2-amino-3-methylbutanoate;methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[(1S)-2-methyl-1-(propan-2-ylamino)propyl]cyclopentan-1-ol;oxolane;sulfane;dibromide;hydrochloride

C75H176Br4ClMg3N5O14S5 — CID 167559746

About trimagnesium;1-[(1S)-1-amino-2-methylpropyl]cyclopentan-1-ol;butane;tert-butyl N-[(1S)-1-(1-hydroxycyclopentyl)-2-methylpropyl]carbamate;deuterioethane;1,4-dibromobutane;hydride;methane;methanol;methyl (2S)-2-amino-3-methylbutanoate;methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[(1S)-2-methyl-1-(propan-2-ylamino)propyl]cyclopentan-1-ol;oxolane;sulfane;dibromide;hydrochloride

trimagnesium;1-[(1S)-1-amino-2-methylpropyl]cyclopentan-1-ol;butane;tert-butyl N-[(1S)-1-(1-hydroxycyclopentyl)-2-methylpropyl]carbamate;deuterioethane;1,4-dibromobutane;hydride;methane;methanol;methyl (2S)-2-amino-3-methylbutanoate;methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[(1S)-2-methyl-1-(propan-2-ylamino)propyl]cyclopentan-1-ol;oxolane;sulfane;dibromide;hydrochloride (PubChem CID 167559746) has the molecular formula C75H176Br4ClMg3N5O14S5 and a molecular weight of 1961.58 g/mol. Its IUPAC name is trimagnesium;1-[(1S)-1-amino-2-methylpropyl]cyclopentan-1-ol;butane;tert-butyl N-[(1S)-1-(1-hydroxycyclopentyl)-2-methylpropyl]carbamate;deuterioethane;1,4-dibromobutane;hydride;methane;methanol;methyl (2S)-2-amino-3-methylbutanoate;methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[(1S)-2-methyl-1-(propan-2-ylamino)propyl]cyclopentan-1-ol;oxolane;sulfane;dibromide;hydrochloride.

Molecular Properties

• Compound Name: trimagnesium;1-[(1S)-1-amino-2-methylpropyl]cyclopentan-1-ol;butane;tert-butyl N-[(1S)-1-(1-hydroxycyclopentyl)-2-methylpropyl]carbamate;deuterioethane;1,4-dibromobutane;hydride;methane;methanol;methyl (2S)-2-amino-3-methylbutanoate;methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[(1S)-2-methyl-1-(propan-2-ylamino)propyl]cyclopentan-1-ol;oxolane;sulfane;dibromide;hydrochloride
• PubChem CID: 167559746
• Molecular Formula: C75H176Br4ClMg3N5O14S5
• Molecular Weight: 1961.58 g/mol
• Exact Mass: 1954.79
• IUPAC Name: trimagnesium;1-[(1S)-1-amino-2-methylpropyl]cyclopentan-1-ol;butane;tert-butyl N-[(1S)-1-(1-hydroxycyclopentyl)-2-methylpropyl]carbamate;deuterioethane;1,4-dibromobutane;hydride;methane;methanol;methyl (2S)-2-amino-3-methylbutanoate;methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[(1S)-2-methyl-1-(propan-2-ylamino)propyl]cyclopentan-1-ol;oxolane;sulfane;dibromide;hydrochloride
• SMILES: BrCCCCBr.C.C.C.C.C1CCOC1.C1CCOC1.CC(C)N[C@@H](C(C)C)C1(O)CCCC1.CC(C)[C@H](N)C1(O)CCCC1.CC(C)[C@H](NC(=O)OC(C)(C)C)C1(O)CCCC1.CO.COC(=O)[C@@H](N)C(C)C.COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C.Cl.S.S.S.S.S.[2H]CC.[Br-].[Br-].[CH2-]CC[CH2-].[H-].[H-].[Mg+2].[Mg+2].[Mg+2]
• InChI: InChI=1S/C14H27NO3.C12H25NO.C11H21NO4.C9H19NO.C6H13NO2.C4H8Br2.2C4H8O.C4H8.C2H6.CH4O.4CH4.2BrH.ClH.3Mg.5H2S.2H/c1-10(2)11(14(17)8-6-7-9-14)15-12(16)18-13(3,4)5;1-9(2)11(13-10(3)4)12(14)7-5-6-8-12;1-7(2)8(9(13)15-6)12-10(14)16-11(3,4)5;1-7(2)8(10)9(11)5-3-4-6-9;1-4(2)5(7)6(8)9-3;5-3-1-2-4-6;2*1-2-4-5-3-1;1-3-4-2;2*1-2;;;;;;;;;;;;;;;;;/h10-11,17H,6-9H2,1-5H3,(H,15,16);9-11,13-14H,5-8H2,1-4H3;7-8H,1-6H3,(H,12,14);7-8,11H,3-6,10H2,1-2H3;4-5H,7H2,1-3H3;1-4H2;2*1-4H2;1-4H2;1-2H3;2H,1H3;4*1H4;3*1H;;;;5*1H2;;/q;;;;;;;;-2;;;;;;;;;;3*+2;;;;;;2*-1/p-2/t2*11-;2*8-;5-;;;;;;;;;;;;;;;;;;;;;;;/m00000......................./s1/i;;;;;;;;;1D
• InChIKey: GDKGCZODTVFUKC-RVWGFEFDSA-L
• XLogP: 11.12
• TPSA: 292.71 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1961.58
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimagnesium;1-[(1S)-1-amino-2-methylpropyl]cyclopentan-1-ol;butane;tert-butyl N-[(1S)-1-(1-hydroxycyclopentyl)-2-methylpropyl]carbamate;deuterioethane;1,4-dibromobutane;hydride;methane;methanol;methyl (2S)-2-amino-3-methylbutanoate;methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[(1S)-2-methyl-1-(propan-2-ylamino)propyl]cyclopentan-1-ol;oxolane;sulfane;dibromide;hydrochloride?

The IUPAC name of trimagnesium;1-[(1S)-1-amino-2-methylpropyl]cyclopentan-1-ol;butane;tert-butyl N-[(1S)-1-(1-hydroxycyclopentyl)-2-methylpropyl]carbamate;deuterioethane;1,4-dibromobutane;hydride;methane;methanol;methyl (2S)-2-amino-3-methylbutanoate;methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[(1S)-2-methyl-1-(propan-2-ylamino)propyl]cyclopentan-1-ol;oxolane;sulfane;dibromide;hydrochloride (CID 167559746) is trimagnesium;1-[(1S)-1-amino-2-methylpropyl]cyclopentan-1-ol;butane;tert-butyl N-[(1S)-1-(1-hydroxycyclopentyl)-2-methylpropyl]carbamate;deuterioethane;1,4-dibromobutane;hydride;methane;methanol;methyl (2S)-2-amino-3-methylbutanoate;methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[(1S)-2-methyl-1-(propan-2-ylamino)propyl]cyclopentan-1-ol;oxolane;sulfane;dibromide;hydrochloride.

What is the SMILES notation for trimagnesium;1-[(1S)-1-amino-2-methylpropyl]cyclopentan-1-ol;butane;tert-butyl N-[(1S)-1-(1-hydroxycyclopentyl)-2-methylpropyl]carbamate;deuterioethane;1,4-dibromobutane;hydride;methane;methanol;methyl (2S)-2-amino-3-methylbutanoate;methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[(1S)-2-methyl-1-(propan-2-ylamino)propyl]cyclopentan-1-ol;oxolane;sulfane;dibromide;hydrochloride?

The canonical SMILES for trimagnesium;1-[(1S)-1-amino-2-methylpropyl]cyclopentan-1-ol;butane;tert-butyl N-[(1S)-1-(1-hydroxycyclopentyl)-2-methylpropyl]carbamate;deuterioethane;1,4-dibromobutane;hydride;methane;methanol;methyl (2S)-2-amino-3-methylbutanoate;methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[(1S)-2-methyl-1-(propan-2-ylamino)propyl]cyclopentan-1-ol;oxolane;sulfane;dibromide;hydrochloride is BrCCCCBr.C.C.C.C.C1CCOC1.C1CCOC1.CC(C)N[C@@H](C(C)C)C1(O)CCCC1.CC(C)[C@H](N)C1(O)CCCC1.CC(C)[C@H](NC(=O)OC(C)(C)C)C1(O)CCCC1.CO.COC(=O)[C@@H](N)C(C)C.COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C.Cl.S.S.S.S.S.[2H]CC.[Br-].[Br-].[CH2-]CC[CH2-].[H-].[H-].[Mg+2].[Mg+2].[Mg+2].

What is the InChIKey of trimagnesium;1-[(1S)-1-amino-2-methylpropyl]cyclopentan-1-ol;butane;tert-butyl N-[(1S)-1-(1-hydroxycyclopentyl)-2-methylpropyl]carbamate;deuterioethane;1,4-dibromobutane;hydride;methane;methanol;methyl (2S)-2-amino-3-methylbutanoate;methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[(1S)-2-methyl-1-(propan-2-ylamino)propyl]cyclopentan-1-ol;oxolane;sulfane;dibromide;hydrochloride?

The InChIKey is GDKGCZODTVFUKC-RVWGFEFDSA-L. The full InChI is InChI=1S/C14H27NO3.C12H25NO.C11H21NO4.C9H19NO.C6H13NO2.C4H8Br2.2C4H8O.C4H8.C2H6.CH4O.4CH4.2BrH.ClH.3Mg.5H2S.2H/c1-10(2)11(14(17)8-6-7-9-14)15-12(16)18-13(3,4)5;1-9(2)11(13-10(3)4)12(14)7-5-6-8-12;1-7(2)8(9(13)15-6)12-10(14)16-11(3,4)5;1-7(2)8(10)9(11)5-3-4-6-9;1-4(2)5(7)6(8)9-3;5-3-1-2-4-6;2*1-2-4-5-3-1;1-3-4-2;2*1-2;;;;;;;;;;;;;;;;;/h10-11,17H,6-9H2,1-5H3,(H,15,16);9-11,13-14H,5-8H2,1-4H3;7-8H,1-6H3,(H,12,14);7-8,11H,3-6,10H2,1-2H3;4-5H,7H2,1-3H3;1-4H2;2*1-4H2;1-4H2;1-2H3;2H,1H3;4*1H4;3*1H;;;;5*1H2;;/q;;;;;;;;-2;;;;;;;;;;3*+2;;;;;;2*-1/p-2/t2*11-;2*8-;5-;;;;;;;;;;;;;;;;;;;;;;;/m00000......................./s1/i;;;;;;;;;1D;;;;;;;;;;;;;;;;;;.

What are the key properties of trimagnesium;1-[(1S)-1-amino-2-methylpropyl]cyclopentan-1-ol;butane;tert-butyl N-[(1S)-1-(1-hydroxycyclopentyl)-2-methylpropyl]carbamate;deuterioethane;1,4-dibromobutane;hydride;methane;methanol;methyl (2S)-2-amino-3-methylbutanoate;methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[(1S)-2-methyl-1-(propan-2-ylamino)propyl]cyclopentan-1-ol;oxolane;sulfane;dibromide;hydrochloride?

trimagnesium;1-[(1S)-1-amino-2-methylpropyl]cyclopentan-1-ol;butane;tert-butyl N-[(1S)-1-(1-hydroxycyclopentyl)-2-methylpropyl]carbamate;deuterioethane;1,4-dibromobutane;hydride;methane;methanol;methyl (2S)-2-amino-3-methylbutanoate;methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[(1S)-2-methyl-1-(propan-2-ylamino)propyl]cyclopentan-1-ol;oxolane;sulfane;dibromide;hydrochloride has a molecular weight of 1961.58 g/mol, XLogP of 11.12, 18 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for trimagnesium;1-[(1S)-1-amino-2-methylpropyl]cyclopentan-1-ol;butane;tert-butyl N-[(1S)-1-(1-hydroxycyclopentyl)-2-methylpropyl]carbamate;deuterioethane;1,4-dibromobutane;hydride;methane;methanol;methyl (2S)-2-amino-3-methylbutanoate;methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;1-[(1S)-2-methyl-1-(propan-2-ylamino)propyl]cyclopentan-1-ol;oxolane;sulfane;dibromide;hydrochloride is sourced from PubChem (CID 167559746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).