dipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione

C59H117K2N5O5-2 — CID 157274123

IUPACdipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione
SMILESC[C-](C(=O)C(C)C)N(C)C(C)C.C[C-](C(=O)C(C)C)N(C)C(C)C.[CH2-]CCC(C)(C(=O)C(C)C)N(C)C(C)C.[CH2-]CCC(CCCCC(C)(C(=O)C(C)C)N(C)C(C)C)(C(=O)C(C)C)N(C)C(C)C.[K+].[K+]
InChIInChI=1S/C26H51N2O2.C13H26NO.2C10H20NO.2K/c1-13-16-26(24(30)20(4)5,28(12)22(8)9)18-15-14-17-25(10,23(29)19(2)3)27(11)21(6)7;1-8-9-13(6,12(15)10(2)3)14(7)11(4)5;2*1-7(2)10(12)9(5)11(6)8(3)4;;/h19-22H,1,13-18H2,2-12H3;10-11H,1,8-9H2,2-7H3;2*7-8H,1-6H3;;/q4*-1;2*+1
InChIKeyOPYKFUSXYKPCNM-UHFFFAOYSA-N
MW1054.81 g/mol
LogP6.93
Rot. Bonds29

About dipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione

dipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione (PubChem CID 157274123) has the molecular formula C59H117K2N5O5-2 and a molecular weight of 1054.81 g/mol. Its IUPAC name is dipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione.

Molecular Properties

Compound Namedipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione
PubChem CID157274123
Molecular FormulaC59H117K2N5O5-2
Molecular Weight1054.81 g/mol
Exact Mass1053.83
IUPAC Namedipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione
SMILESC[C-](C(=O)C(C)C)N(C)C(C)C.C[C-](C(=O)C(C)C)N(C)C(C)C.[CH2-]CCC(C)(C(=O)C(C)C)N(C)C(C)C.[CH2-]CCC(CCCCC(C)(C(=O)C(C)C)N(C)C(C)C)(C(=O)C(C)C)N(C)C(C)C.[K+].[K+]
InChIInChI=1S/C26H51N2O2.C13H26NO.2C10H20NO.2K/c1-13-16-26(24(30)20(4)5,28(12)22(8)9)18-15-14-17-25(10,23(29)19(2)3)27(11)21(6)7;1-8-9-13(6,12(15)10(2)3)14(7)11(4)5;2*1-7(2)10(12)9(5)11(6)8(3)4;;/h19-22H,1,13-18H2,2-12H3;10-11H,1,8-9H2,2-7H3;2*7-8H,1-6H3;;/q4*-1;2*+1
InChIKeyOPYKFUSXYKPCNM-UHFFFAOYSA-N
XLogP6.93
TPSA101.55 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds29
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.81
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze dipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione?
The IUPAC name of dipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione (CID 157274123) is dipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione.
What is the SMILES notation for dipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione?
The canonical SMILES for dipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione is C[C-](C(=O)C(C)C)N(C)C(C)C.C[C-](C(=O)C(C)C)N(C)C(C)C.[CH2-]CCC(C)(C(=O)C(C)C)N(C)C(C)C.[CH2-]CCC(CCCCC(C)(C(=O)C(C)C)N(C)C(C)C)(C(=O)C(C)C)N(C)C(C)C.[K+].[K+].
What is the InChIKey of dipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione?
The InChIKey is OPYKFUSXYKPCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51N2O2.C13H26NO.2C10H20NO.2K/c1-13-16-26(24(30)20(4)5,28(12)22(8)9)18-15-14-17-25(10,23(29)19(2)3)27(11)21(6)7;1-8-9-13(6,12(15)10(2)3)14(7)11(4)5;2*1-7(2)10(12)9(5)11(6)8(3)4;;/h19-22H,1,13-18H2,2-12H3;10-11H,1,8-9H2,2-7H3;2*7-8H,1-6H3;;/q4*-1;2*+1.
What are the key properties of dipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione?
dipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione has a molecular weight of 1054.81 g/mol, XLogP of 6.93, 29 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2,4-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one;bis(2-methyl-4-[methyl(propan-2-yl)amino]pentan-3-one);2,4,11-trimethyl-4,9-bis[methyl(propan-2-yl)amino]-9-propyldodecane-3,10-dione is sourced from PubChem (CID 157274123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).