[(2R)-6-azaniumyl-1-(3,3-dimethylbutylamino)-1-oxohexan-2-yl]azanium;[(2R)-6-azaniumyl-1-(5,5-dimethylhexylamino)-1-oxohexan-2-yl]azanium;3,3-dimethylbutylazanium;2,2-dimethylheptane;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)acridine-9-carboxamide;5,5-dimethylhexylazanium;7,7-dimethyloctylazanium;ethane;bis(2-methylbutane);3-methylbutanoate;1-methyl-4-(2-methylpropyl)benzene;4-methylpentanoate;decakis(2-methylpropane);2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazol-3-ium;3-(2-methylpropyl)-1H-indole;propan-2-ylazanium;4-propan-2-yl-3H-pyrrol-1-ium

C204H422N16O8+8 — CID 159615593

About [(2R)-6-azaniumyl-1-(3,3-dimethylbutylamino)-1-oxohexan-2-yl]azanium;[(2R)-6-azaniumyl-1-(5,5-dimethylhexylamino)-1-oxohexan-2-yl]azanium;3,3-dimethylbutylazanium;2,2-dimethylheptane;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)acridine-9-carboxamide;5,5-dimethylhexylazanium;7,7-dimethyloctylazanium;ethane;bis(2-methylbutane);3-methylbutanoate;1-methyl-4-(2-methylpropyl)benzene;4-methylpentanoate;decakis(2-methylpropane);2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazol-3-ium;3-(2-methylpropyl)-1H-indole;propan-2-ylazanium;4-propan-2-yl-3H-pyrrol-1-ium

[(2R)-6-azaniumyl-1-(3,3-dimethylbutylamino)-1-oxohexan-2-yl]azanium;[(2R)-6-azaniumyl-1-(5,5-dimethylhexylamino)-1-oxohexan-2-yl]azanium;3,3-dimethylbutylazanium;2,2-dimethylheptane;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)acridine-9-carboxamide;5,5-dimethylhexylazanium;7,7-dimethyloctylazanium;ethane;bis(2-methylbutane);3-methylbutanoate;1-methyl-4-(2-methylpropyl)benzene;4-methylpentanoate;decakis(2-methylpropane);2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazol-3-ium;3-(2-methylpropyl)-1H-indole;propan-2-ylazanium;4-propan-2-yl-3H-pyrrol-1-ium (PubChem CID 159615593) has the molecular formula C204H422N16O8+8 and a molecular weight of 3227.72 g/mol. Its IUPAC name is [(2R)-6-azaniumyl-1-(3,3-dimethylbutylamino)-1-oxohexan-2-yl]azanium;[(2R)-6-azaniumyl-1-(5,5-dimethylhexylamino)-1-oxohexan-2-yl]azanium;3,3-dimethylbutylazanium;2,2-dimethylheptane;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)acridine-9-carboxamide;5,5-dimethylhexylazanium;7,7-dimethyloctylazanium;ethane;bis(2-methylbutane);3-methylbutanoate;1-methyl-4-(2-methylpropyl)benzene;4-methylpentanoate;decakis(2-methylpropane);2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazol-3-ium;3-(2-methylpropyl)-1H-indole;propan-2-ylazanium;4-propan-2-yl-3H-pyrrol-1-ium.

Molecular Properties

• Compound Name: [(2R)-6-azaniumyl-1-(3,3-dimethylbutylamino)-1-oxohexan-2-yl]azanium;[(2R)-6-azaniumyl-1-(5,5-dimethylhexylamino)-1-oxohexan-2-yl]azanium;3,3-dimethylbutylazanium;2,2-dimethylheptane;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)acridine-9-carboxamide;5,5-dimethylhexylazanium;7,7-dimethyloctylazanium;ethane;bis(2-methylbutane);3-methylbutanoate;1-methyl-4-(2-methylpropyl)benzene;4-methylpentanoate;decakis(2-methylpropane);2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazol-3-ium;3-(2-methylpropyl)-1H-indole;propan-2-ylazanium;4-propan-2-yl-3H-pyrrol-1-ium
• PubChem CID: 159615593
• Molecular Formula: C204H422N16O8+8
• Molecular Weight: 3227.72 g/mol
• Exact Mass: 3225.31
• IUPAC Name: [(2R)-6-azaniumyl-1-(3,3-dimethylbutylamino)-1-oxohexan-2-yl]azanium;[(2R)-6-azaniumyl-1-(5,5-dimethylhexylamino)-1-oxohexan-2-yl]azanium;3,3-dimethylbutylazanium;2,2-dimethylheptane;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)acridine-9-carboxamide;5,5-dimethylhexylazanium;7,7-dimethyloctylazanium;ethane;bis(2-methylbutane);3-methylbutanoate;1-methyl-4-(2-methylpropyl)benzene;4-methylpentanoate;decakis(2-methylpropane);2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazol-3-ium;3-(2-methylpropyl)-1H-indole;propan-2-ylazanium;4-propan-2-yl-3H-pyrrol-1-ium
• SMILES: CC.CC.CC(C)(C)CCCCCC[NH3+].CC(C)(C)CCCCNC(=O)[C@H]([NH3+])CCCC[NH3+].CC(C)(C)CCCCNC(=O)c1c2ccccc2nc2ccccc12.CC(C)(C)CCCCO.CC(C)(C)CCCC[NH3+].CC(C)(C)CCNC(=O)[C@H]([NH3+])CCCC[NH3+].CC(C)(C)CC[NH3+].CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=C[NH+]=CC1.CC(C)CC(=O)[O-].CC(C)CCC(=O)[O-].CC(C)Cc1c[nH+]c[nH]1.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1ccccc1.CC(C)[NH3+].CCC(C)C.CCC(C)C.CCCCCC(C)(C)C.Cc1ccc(CC(C)C)cc1
• InChI: InChI=1S/C22H26N2O.C14H31N3O.C12H27N3O.C12H15N.C11H16.C10H23N.C10H14.C9H20.C8H19N.C8H18O.C7H12N2.C7H11N.C6H15N.C6H12O2.C5H10O2.2C5H12.10C4H10.C3H9N.2C2H6/c1-22(2,3)14-8-9-15-23-21(25)20-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)20;1-14(2,3)9-5-7-11-17-13(18)12(16)8-4-6-10-15;1-12(2,3)7-9-15-11(16)10(14)6-4-5-8-13;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-9(2)8-11-6-4-10(3)5-7-11;1-10(2,3)8-6-4-5-7-9-11;1-9(2)8-10-6-4-3-5-7-10;1-5-6-7-8-9(2,3)4;2*1-8(2,3)6-4-5-7-9;1-6(2)3-7-4-8-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2,3)4-5-7;1-5(2)3-4-6(7)8;1-4(2)3-5(6)7;2*1-4-5(2)3;10*1-4(2)3;1-3(2)4;2*1-2/h4-7,10-13H,8-9,14-15H2,1-3H3,(H,23,25);12H,4-11,15-16H2,1-3H3,(H,17,18);10H,4-9,13-14H2,1-3H3,(H,15,16);3-6,8-9,13H,7H2,1-2H3;4-7,9H,8H2,1-3H3;4-9,11H2,1-3H3;3-7,9H,8H2,1-2H3;5-8H2,1-4H3;4-7,9H2,1-3H3;9H,4-7H2,1-3H3;4-6H,3H2,1-2H3,(H,8,9);4-6H,3H2,1-2H3;4-5,7H2,1-3H3;5H,3-4H2,1-2H3,(H,7,8);4H,3H2,1-2H3,(H,6,7);2*5H,4H2,1-3H3;10*4H,1-3H3;3H,4H2,1-2H3;2*1-2H3/p+8/t;12-;10-;;;;;;;;;;;;;;;;;;;;;;;;;;;/m.11.........................../s1
• InChIKey: MNFZMUTYKZIJOL-BBTQLGHMSA-V
• XLogP: 48.30
• TPSA: 481.49 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 9
• Rotatable Bonds: 52
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3227.72
LogP ≤ 5	48.30
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-azaniumyl-1-(3,3-dimethylbutylamino)-1-oxohexan-2-yl]azanium;[(2R)-6-azaniumyl-1-(5,5-dimethylhexylamino)-1-oxohexan-2-yl]azanium;3,3-dimethylbutylazanium;2,2-dimethylheptane;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)acridine-9-carboxamide;5,5-dimethylhexylazanium;7,7-dimethyloctylazanium;ethane;bis(2-methylbutane);3-methylbutanoate;1-methyl-4-(2-methylpropyl)benzene;4-methylpentanoate;decakis(2-methylpropane);2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazol-3-ium;3-(2-methylpropyl)-1H-indole;propan-2-ylazanium;4-propan-2-yl-3H-pyrrol-1-ium?

The IUPAC name of [(2R)-6-azaniumyl-1-(3,3-dimethylbutylamino)-1-oxohexan-2-yl]azanium;[(2R)-6-azaniumyl-1-(5,5-dimethylhexylamino)-1-oxohexan-2-yl]azanium;3,3-dimethylbutylazanium;2,2-dimethylheptane;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)acridine-9-carboxamide;5,5-dimethylhexylazanium;7,7-dimethyloctylazanium;ethane;bis(2-methylbutane);3-methylbutanoate;1-methyl-4-(2-methylpropyl)benzene;4-methylpentanoate;decakis(2-methylpropane);2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazol-3-ium;3-(2-methylpropyl)-1H-indole;propan-2-ylazanium;4-propan-2-yl-3H-pyrrol-1-ium (CID 159615593) is [(2R)-6-azaniumyl-1-(3,3-dimethylbutylamino)-1-oxohexan-2-yl]azanium;[(2R)-6-azaniumyl-1-(5,5-dimethylhexylamino)-1-oxohexan-2-yl]azanium;3,3-dimethylbutylazanium;2,2-dimethylheptane;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)acridine-9-carboxamide;5,5-dimethylhexylazanium;7,7-dimethyloctylazanium;ethane;bis(2-methylbutane);3-methylbutanoate;1-methyl-4-(2-methylpropyl)benzene;4-methylpentanoate;decakis(2-methylpropane);2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazol-3-ium;3-(2-methylpropyl)-1H-indole;propan-2-ylazanium;4-propan-2-yl-3H-pyrrol-1-ium.

What is the SMILES notation for [(2R)-6-azaniumyl-1-(3,3-dimethylbutylamino)-1-oxohexan-2-yl]azanium;[(2R)-6-azaniumyl-1-(5,5-dimethylhexylamino)-1-oxohexan-2-yl]azanium;3,3-dimethylbutylazanium;2,2-dimethylheptane;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)acridine-9-carboxamide;5,5-dimethylhexylazanium;7,7-dimethyloctylazanium;ethane;bis(2-methylbutane);3-methylbutanoate;1-methyl-4-(2-methylpropyl)benzene;4-methylpentanoate;decakis(2-methylpropane);2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazol-3-ium;3-(2-methylpropyl)-1H-indole;propan-2-ylazanium;4-propan-2-yl-3H-pyrrol-1-ium?

The canonical SMILES for [(2R)-6-azaniumyl-1-(3,3-dimethylbutylamino)-1-oxohexan-2-yl]azanium;[(2R)-6-azaniumyl-1-(5,5-dimethylhexylamino)-1-oxohexan-2-yl]azanium;3,3-dimethylbutylazanium;2,2-dimethylheptane;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)acridine-9-carboxamide;5,5-dimethylhexylazanium;7,7-dimethyloctylazanium;ethane;bis(2-methylbutane);3-methylbutanoate;1-methyl-4-(2-methylpropyl)benzene;4-methylpentanoate;decakis(2-methylpropane);2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazol-3-ium;3-(2-methylpropyl)-1H-indole;propan-2-ylazanium;4-propan-2-yl-3H-pyrrol-1-ium is CC.CC.CC(C)(C)CCCCCC[NH3+].CC(C)(C)CCCCNC(=O)[C@H]([NH3+])CCCC[NH3+].CC(C)(C)CCCCNC(=O)c1c2ccccc2nc2ccccc12.CC(C)(C)CCCCO.CC(C)(C)CCCC[NH3+].CC(C)(C)CCNC(=O)[C@H]([NH3+])CCCC[NH3+].CC(C)(C)CC[NH3+].CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=C[NH+]=CC1.CC(C)CC(=O)[O-].CC(C)CCC(=O)[O-].CC(C)Cc1c[nH+]c[nH]1.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1ccccc1.CC(C)[NH3+].CCC(C)C.CCC(C)C.CCCCCC(C)(C)C.Cc1ccc(CC(C)C)cc1.

What is the InChIKey of [(2R)-6-azaniumyl-1-(3,3-dimethylbutylamino)-1-oxohexan-2-yl]azanium;[(2R)-6-azaniumyl-1-(5,5-dimethylhexylamino)-1-oxohexan-2-yl]azanium;3,3-dimethylbutylazanium;2,2-dimethylheptane;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)acridine-9-carboxamide;5,5-dimethylhexylazanium;7,7-dimethyloctylazanium;ethane;bis(2-methylbutane);3-methylbutanoate;1-methyl-4-(2-methylpropyl)benzene;4-methylpentanoate;decakis(2-methylpropane);2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazol-3-ium;3-(2-methylpropyl)-1H-indole;propan-2-ylazanium;4-propan-2-yl-3H-pyrrol-1-ium?

The InChIKey is MNFZMUTYKZIJOL-BBTQLGHMSA-V. The full InChI is InChI=1S/C22H26N2O.C14H31N3O.C12H27N3O.C12H15N.C11H16.C10H23N.C10H14.C9H20.C8H19N.C8H18O.C7H12N2.C7H11N.C6H15N.C6H12O2.C5H10O2.2C5H12.10C4H10.C3H9N.2C2H6/c1-22(2,3)14-8-9-15-23-21(25)20-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)20;1-14(2,3)9-5-7-11-17-13(18)12(16)8-4-6-10-15;1-12(2,3)7-9-15-11(16)10(14)6-4-5-8-13;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-9(2)8-11-6-4-10(3)5-7-11;1-10(2,3)8-6-4-5-7-9-11;1-9(2)8-10-6-4-3-5-7-10;1-5-6-7-8-9(2,3)4;2*1-8(2,3)6-4-5-7-9;1-6(2)3-7-4-8-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2,3)4-5-7;1-5(2)3-4-6(7)8;1-4(2)3-5(6)7;2*1-4-5(2)3;10*1-4(2)3;1-3(2)4;2*1-2/h4-7,10-13H,8-9,14-15H2,1-3H3,(H,23,25);12H,4-11,15-16H2,1-3H3,(H,17,18);10H,4-9,13-14H2,1-3H3,(H,15,16);3-6,8-9,13H,7H2,1-2H3;4-7,9H,8H2,1-3H3;4-9,11H2,1-3H3;3-7,9H,8H2,1-2H3;5-8H2,1-4H3;4-7,9H2,1-3H3;9H,4-7H2,1-3H3;4-6H,3H2,1-2H3,(H,8,9);4-6H,3H2,1-2H3;4-5,7H2,1-3H3;5H,3-4H2,1-2H3,(H,7,8);4H,3H2,1-2H3,(H,6,7);2*5H,4H2,1-3H3;10*4H,1-3H3;3H,4H2,1-2H3;2*1-2H3/p+8/t;12-;10-;;;;;;;;;;;;;;;;;;;;;;;;;;;/m.11.........................../s1.

What are the key properties of [(2R)-6-azaniumyl-1-(3,3-dimethylbutylamino)-1-oxohexan-2-yl]azanium;[(2R)-6-azaniumyl-1-(5,5-dimethylhexylamino)-1-oxohexan-2-yl]azanium;3,3-dimethylbutylazanium;2,2-dimethylheptane;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)acridine-9-carboxamide;5,5-dimethylhexylazanium;7,7-dimethyloctylazanium;ethane;bis(2-methylbutane);3-methylbutanoate;1-methyl-4-(2-methylpropyl)benzene;4-methylpentanoate;decakis(2-methylpropane);2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazol-3-ium;3-(2-methylpropyl)-1H-indole;propan-2-ylazanium;4-propan-2-yl-3H-pyrrol-1-ium?

[(2R)-6-azaniumyl-1-(3,3-dimethylbutylamino)-1-oxohexan-2-yl]azanium;[(2R)-6-azaniumyl-1-(5,5-dimethylhexylamino)-1-oxohexan-2-yl]azanium;3,3-dimethylbutylazanium;2,2-dimethylheptane;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)acridine-9-carboxamide;5,5-dimethylhexylazanium;7,7-dimethyloctylazanium;ethane;bis(2-methylbutane);3-methylbutanoate;1-methyl-4-(2-methylpropyl)benzene;4-methylpentanoate;decakis(2-methylpropane);2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazol-3-ium;3-(2-methylpropyl)-1H-indole;propan-2-ylazanium;4-propan-2-yl-3H-pyrrol-1-ium has a molecular weight of 3227.72 g/mol, XLogP of 48.30, 52 rotatable bonds, 15 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-6-azaniumyl-1-(3,3-dimethylbutylamino)-1-oxohexan-2-yl]azanium;[(2R)-6-azaniumyl-1-(5,5-dimethylhexylamino)-1-oxohexan-2-yl]azanium;3,3-dimethylbutylazanium;2,2-dimethylheptane;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)acridine-9-carboxamide;5,5-dimethylhexylazanium;7,7-dimethyloctylazanium;ethane;bis(2-methylbutane);3-methylbutanoate;1-methyl-4-(2-methylpropyl)benzene;4-methylpentanoate;decakis(2-methylpropane);2-methylpropylbenzene;5-(2-methylpropyl)-1H-imidazol-3-ium;3-(2-methylpropyl)-1H-indole;propan-2-ylazanium;4-propan-2-yl-3H-pyrrol-1-ium is sourced from PubChem (CID 159615593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).