2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine

C269H542N14O39 — CID 165106432

IUPAC2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine
SMILESCC(C)CCC(=O)NCCCC(=O)C(C)C.CC(C)CCC(=O)NCCCCCC(=O)C(C)C.CC(C)CCC(=O)NCCCCCCCC(=O)C(C)C.CC(C)CCC(=O)NCCCCCCCCCC(=O)C(C)C.CC(C)CCCCCCCCCC(=O)C(C)C.CC(C)CCCCCCCCCCCC(=O)C(C)C.CC(C)CCCCCCCCNC(C)C.CC(C)CCCCCCNC(C)C.CC(C)CCCOCCOCCC(=O)C(C)C.CC(C)CCCOCCOCCOCC(=O)C(C)C.CC(C)NCCCCCC(=O)C(C)C.CC(C)NCCCCCCCC(=O)C(C)C.CC(C)NCCCCCCCCCC(=O)C(C)C.CC(C)NCCOCCOCC(=O)C(C)C.CC(C)NCCOCCOCCOCCOCCOCCOCC(=O)C(C)C.CC(C)OCC(=O)NCCCC(=O)C(C)C.CC(C)OCC(=O)NCCCCCC(=O)C(C)C.CC(C)OCC(=O)NCCCCCCCC(=O)C(C)C
InChIInChI=1S/C20H41NO7.C19H37NO2.C18H36O.C17H33NO2.C16H31NO3.C16H33NO.C16H32O.C15H29NO2.C15H30O4.C14H27NO3.C14H29NO.C14H31N.C14H28O3.C13H25NO2.C12H25NO3.C12H23NO3.C12H25NO.C12H27N/c1-18(2)20(22)17-28-16-15-27-14-13-26-12-11-25-10-9-24-8-7-23-6-5-21-19(3)4;1-16(2)13-14-19(22)20-15-11-9-7-5-6-8-10-12-18(21)17(3)4;1-16(2)14-12-10-8-6-5-7-9-11-13-15-18(19)17(3)4;1-14(2)11-12-17(20)18-13-9-7-5-6-8-10-16(19)15(3)4;1-13(2)15(18)10-8-6-5-7-9-11-17-16(19)12-20-14(3)4;1-14(2)16(18)12-10-8-6-5-7-9-11-13-17-15(3)4;1-14(2)12-10-8-6-5-7-9-11-13-16(17)15(3)4;1-12(2)9-10-15(18)16-11-7-5-6-8-14(17)13(3)4;1-13(2)6-5-7-17-8-9-18-10-11-19-12-15(16)14(3)4;1-11(2)13(16)8-6-5-7-9-15-14(17)10-18-12(3)4;1-12(2)14(16)10-8-6-5-7-9-11-15-13(3)4;1-13(2)11-9-7-5-6-8-10-12-15-14(3)4;1-12(2)6-5-8-16-10-11-17-9-7-14(15)13(3)4;1-10(2)7-8-13(16)14-9-5-6-12(15)11(3)4;1-10(2)12(14)9-16-8-7-15-6-5-13-11(3)4;1-9(2)11(14)6-5-7-13-12(15)8-16-10(3)4;1-10(2)12(14)8-6-5-7-9-13-11(3)4;1-11(2)9-7-5-6-8-10-13-12(3)4/h18-19,21H,5-17H2,1-4H3;16-17H,5-15H2,1-4H3,(H,20,22);16-17H,5-15H2,1-4H3;14-15H,5-13H2,1-4H3,(H,18,20);13-14H,5-12H2,1-4H3,(H,17,19);14-15,17H,5-13H2,1-4H3;14-15H,5-13H2,1-4H3;12-13H,5-11H2,1-4H3,(H,16,18);13-14H,5-12H2,1-4H3;11-12H,5-10H2,1-4H3,(H,15,17);12-13,15H,5-11H2,1-4H3;13-15H,5-12H2,1-4H3;12-13H,5-11H2,1-4H3;10-11H,5-9H2,1-4H3,(H,14,16);10-11,13H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3,(H,13,15);10-11,13H,5-9H2,1-4H3;11-13H,5-10H2,1-4H3
InChIKeyZFBFHJPWQPJFMP-UHFFFAOYSA-N
MW4597.35 g/mol
LogP60.27
Rot. Bonds202

About 2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine

2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine (PubChem CID 165106432) has the molecular formula C269H542N14O39 and a molecular weight of 4597.35 g/mol. Its IUPAC name is 2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine.

Molecular Properties

Compound Name2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine
PubChem CID165106432
Molecular FormulaC269H542N14O39
Molecular Weight4597.35 g/mol
Exact Mass4594.09
IUPAC Name2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine
SMILESCC(C)CCC(=O)NCCCC(=O)C(C)C.CC(C)CCC(=O)NCCCCCC(=O)C(C)C.CC(C)CCC(=O)NCCCCCCCC(=O)C(C)C.CC(C)CCC(=O)NCCCCCCCCCC(=O)C(C)C.CC(C)CCCCCCCCCC(=O)C(C)C.CC(C)CCCCCCCCCCCC(=O)C(C)C.CC(C)CCCCCCCCNC(C)C.CC(C)CCCCCCNC(C)C.CC(C)CCCOCCOCCC(=O)C(C)C.CC(C)CCCOCCOCCOCC(=O)C(C)C.CC(C)NCCCCCC(=O)C(C)C.CC(C)NCCCCCCCC(=O)C(C)C.CC(C)NCCCCCCCCCC(=O)C(C)C.CC(C)NCCOCCOCC(=O)C(C)C.CC(C)NCCOCCOCCOCCOCCOCCOCC(=O)C(C)C.CC(C)OCC(=O)NCCCC(=O)C(C)C.CC(C)OCC(=O)NCCCCCC(=O)C(C)C.CC(C)OCC(=O)NCCCCCCCC(=O)C(C)C
InChIInChI=1S/C20H41NO7.C19H37NO2.C18H36O.C17H33NO2.C16H31NO3.C16H33NO.C16H32O.C15H29NO2.C15H30O4.C14H27NO3.C14H29NO.C14H31N.C14H28O3.C13H25NO2.C12H25NO3.C12H23NO3.C12H25NO.C12H27N/c1-18(2)20(22)17-28-16-15-27-14-13-26-12-11-25-10-9-24-8-7-23-6-5-21-19(3)4;1-16(2)13-14-19(22)20-15-11-9-7-5-6-8-10-12-18(21)17(3)4;1-16(2)14-12-10-8-6-5-7-9-11-13-15-18(19)17(3)4;1-14(2)11-12-17(20)18-13-9-7-5-6-8-10-16(19)15(3)4;1-13(2)15(18)10-8-6-5-7-9-11-17-16(19)12-20-14(3)4;1-14(2)16(18)12-10-8-6-5-7-9-11-13-17-15(3)4;1-14(2)12-10-8-6-5-7-9-11-13-16(17)15(3)4;1-12(2)9-10-15(18)16-11-7-5-6-8-14(17)13(3)4;1-13(2)6-5-7-17-8-9-18-10-11-19-12-15(16)14(3)4;1-11(2)13(16)8-6-5-7-9-15-14(17)10-18-12(3)4;1-12(2)14(16)10-8-6-5-7-9-11-15-13(3)4;1-13(2)11-9-7-5-6-8-10-12-15-14(3)4;1-12(2)6-5-8-16-10-11-17-9-7-14(15)13(3)4;1-10(2)7-8-13(16)14-9-5-6-12(15)11(3)4;1-10(2)12(14)9-16-8-7-15-6-5-13-11(3)4;1-9(2)11(14)6-5-7-13-12(15)8-16-10(3)4;1-10(2)12(14)8-6-5-7-9-13-11(3)4;1-11(2)9-7-5-6-8-10-13-12(3)4/h18-19,21H,5-17H2,1-4H3;16-17H,5-15H2,1-4H3,(H,20,22);16-17H,5-15H2,1-4H3;14-15H,5-13H2,1-4H3,(H,18,20);13-14H,5-12H2,1-4H3,(H,17,19);14-15,17H,5-13H2,1-4H3;14-15H,5-13H2,1-4H3;12-13H,5-11H2,1-4H3,(H,16,18);13-14H,5-12H2,1-4H3;11-12H,5-10H2,1-4H3,(H,15,17);12-13,15H,5-11H2,1-4H3;13-15H,5-12H2,1-4H3;12-13H,5-11H2,1-4H3;10-11H,5-9H2,1-4H3,(H,14,16);10-11,13H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3,(H,13,15);10-11,13H,5-9H2,1-4H3;11-13H,5-10H2,1-4H3
InChIKeyZFBFHJPWQPJFMP-UHFFFAOYSA-N
XLogP60.27
TPSA708.71 Ų
H-Bond Donors14
H-Bond Acceptors46
Rotatable Bonds202
Heavy Atoms322
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004597.35
LogP ≤ 560.27
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze 2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine?
The IUPAC name of 2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine (CID 165106432) is 2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine.
What is the SMILES notation for 2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine?
The canonical SMILES for 2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine is CC(C)CCC(=O)NCCCC(=O)C(C)C.CC(C)CCC(=O)NCCCCCC(=O)C(C)C.CC(C)CCC(=O)NCCCCCCCC(=O)C(C)C.CC(C)CCC(=O)NCCCCCCCCCC(=O)C(C)C.CC(C)CCCCCCCCCC(=O)C(C)C.CC(C)CCCCCCCCCCCC(=O)C(C)C.CC(C)CCCCCCCCNC(C)C.CC(C)CCCCCCNC(C)C.CC(C)CCCOCCOCCC(=O)C(C)C.CC(C)CCCOCCOCCOCC(=O)C(C)C.CC(C)NCCCCCC(=O)C(C)C.CC(C)NCCCCCCCC(=O)C(C)C.CC(C)NCCCCCCCCCC(=O)C(C)C.CC(C)NCCOCCOCC(=O)C(C)C.CC(C)NCCOCCOCCOCCOCCOCCOCC(=O)C(C)C.CC(C)OCC(=O)NCCCC(=O)C(C)C.CC(C)OCC(=O)NCCCCCC(=O)C(C)C.CC(C)OCC(=O)NCCCCCCCC(=O)C(C)C.
What is the InChIKey of 2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine?
The InChIKey is ZFBFHJPWQPJFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO7.C19H37NO2.C18H36O.C17H33NO2.C16H31NO3.C16H33NO.C16H32O.C15H29NO2.C15H30O4.C14H27NO3.C14H29NO.C14H31N.C14H28O3.C13H25NO2.C12H25NO3.C12H23NO3.C12H25NO.C12H27N/c1-18(2)20(22)17-28-16-15-27-14-13-26-12-11-25-10-9-24-8-7-23-6-5-21-19(3)4;1-16(2)13-14-19(22)20-15-11-9-7-5-6-8-10-12-18(21)17(3)4;1-16(2)14-12-10-8-6-5-7-9-11-13-15-18(19)17(3)4;1-14(2)11-12-17(20)18-13-9-7-5-6-8-10-16(19)15(3)4;1-13(2)15(18)10-8-6-5-7-9-11-17-16(19)12-20-14(3)4;1-14(2)16(18)12-10-8-6-5-7-9-11-13-17-15(3)4;1-14(2)12-10-8-6-5-7-9-11-13-16(17)15(3)4;1-12(2)9-10-15(18)16-11-7-5-6-8-14(17)13(3)4;1-13(2)6-5-7-17-8-9-18-10-11-19-12-15(16)14(3)4;1-11(2)13(16)8-6-5-7-9-15-14(17)10-18-12(3)4;1-12(2)14(16)10-8-6-5-7-9-11-15-13(3)4;1-13(2)11-9-7-5-6-8-10-12-15-14(3)4;1-12(2)6-5-8-16-10-11-17-9-7-14(15)13(3)4;1-10(2)7-8-13(16)14-9-5-6-12(15)11(3)4;1-10(2)12(14)9-16-8-7-15-6-5-13-11(3)4;1-9(2)11(14)6-5-7-13-12(15)8-16-10(3)4;1-10(2)12(14)8-6-5-7-9-13-11(3)4;1-11(2)9-7-5-6-8-10-13-12(3)4/h18-19,21H,5-17H2,1-4H3;16-17H,5-15H2,1-4H3,(H,20,22);16-17H,5-15H2,1-4H3;14-15H,5-13H2,1-4H3,(H,18,20);13-14H,5-12H2,1-4H3,(H,17,19);14-15,17H,5-13H2,1-4H3;14-15H,5-13H2,1-4H3;12-13H,5-11H2,1-4H3,(H,16,18);13-14H,5-12H2,1-4H3;11-12H,5-10H2,1-4H3,(H,15,17);12-13,15H,5-11H2,1-4H3;13-15H,5-12H2,1-4H3;12-13H,5-11H2,1-4H3;10-11H,5-9H2,1-4H3,(H,14,16);10-11,13H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3,(H,13,15);10-11,13H,5-9H2,1-4H3;11-13H,5-10H2,1-4H3.
What are the key properties of 2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine?
2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine has a molecular weight of 4597.35 g/mol, XLogP of 60.27, 202 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2,15-dimethylhexadecan-3-one;2,13-dimethyltetradecan-3-one;4-methyl-N-(9-methyl-8-oxodecyl)pentanamide;4-methyl-N-(11-methyl-10-oxododecyl)pentanamide;4-methyl-N-(5-methyl-4-oxohexyl)pentanamide;4-methyl-N-(7-methyl-6-oxooctyl)pentanamide;3-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]butan-2-one;4-methyl-1-[2-(4-methylpentoxy)ethoxy]pentan-3-one;N-(9-methyl-8-oxodecyl)-2-propan-2-yloxyacetamide;N-(5-methyl-4-oxohexyl)-2-propan-2-yloxyacetamide;N-(7-methyl-6-oxooctyl)-2-propan-2-yloxyacetamide;2-methyl-10-(propan-2-ylamino)decan-3-one;2-methyl-12-(propan-2-ylamino)dodecan-3-one;3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;3-methyl-1-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-methyl-8-(propan-2-ylamino)octan-3-one;9-methyl-N-propan-2-yldecan-1-amine;7-methyl-N-propan-2-yloctan-1-amine is sourced from PubChem (CID 165106432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).