[5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium

C57H120N4O3P3+3 — CID 126518727

IUPAC[5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium
SMILESCCC[P+](CCC)(CCC)C(C)(C)CC(C)(C)C(=O)NCCN(CCNC(=O)C(C)(C)CC(C)(C)[P+](CCC)(CCC)CCC)CCNC(=O)C(C)(C)CC(C)(C)[P+](CCC)(CCC)CCC
InChIInChI=1S/C57H117N4O3P3/c1-22-37-65(38-23-2,39-24-3)55(16,17)46-52(10,11)49(62)58-31-34-61(35-32-59-50(63)53(12,13)47-56(18,19)66(40-25-4,41-26-5)42-27-6)36-33-60-51(64)54(14,15)48-57(20,21)67(43-28-7,44-29-8)45-30-9/h22-48H2,1-21H3/p+3
InChIKeyAMDYDXUIIXFLQB-UHFFFAOYSA-Q
MW1002.53 g/mol
LogP14.96
Rot. Bonds39

About [5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium

[5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium (PubChem CID 126518727) has the molecular formula C57H120N4O3P3+3 and a molecular weight of 1002.53 g/mol. Its IUPAC name is [5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium.

Molecular Properties

Compound Name[5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium
PubChem CID126518727
Molecular FormulaC57H120N4O3P3+3
Molecular Weight1002.53 g/mol
Exact Mass1001.86
IUPAC Name[5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium
SMILESCCC[P+](CCC)(CCC)C(C)(C)CC(C)(C)C(=O)NCCN(CCNC(=O)C(C)(C)CC(C)(C)[P+](CCC)(CCC)CCC)CCNC(=O)C(C)(C)CC(C)(C)[P+](CCC)(CCC)CCC
InChIInChI=1S/C57H117N4O3P3/c1-22-37-65(38-23-2,39-24-3)55(16,17)46-52(10,11)49(62)58-31-34-61(35-32-59-50(63)53(12,13)47-56(18,19)66(40-25-4,41-26-5)42-27-6)36-33-60-51(64)54(14,15)48-57(20,21)67(43-28-7,44-29-8)45-30-9/h22-48H2,1-21H3/p+3
InChIKeyAMDYDXUIIXFLQB-UHFFFAOYSA-Q
XLogP14.96
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds39
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.53
LogP ≤ 514.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium with MolForge

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Related Compounds

2,2,4,4-tetramethyl-N-propylpentanamide
CID 144742473
4-(1-aminoethylamino)-N-[2-[bis[2-[[7-(2-aminobutan-2-ylamino)-3,5,5,7-tetramethyl-4-oxooctan-3-yl]amino]ethyl]amino]ethyl]-2,2,4-trimethylpentanamide
CID 89240371
N-butyl-4-[3,3-dimethylbutanoyl(3-methylbutyl)amino]-2,2,4-trimethylpentanamide
CID 121263966
N-[2-(diethylamino)ethyl]-2-methyl-2-(methylamino)propanamide
CID 62836908
3-hydroxy-2,2-dimethyl-N-propylpropanamide
CID 58461027
2,2,4,4-tetramethyl-N-propylhex-5-ynamide
CID 167115818
2,2,4,4-tetramethyl-N-octylhexanamide
CID 178052018
N-butyl-2,2,5-trimethylhexanamide
CID 145422242
N-(3-bromobutyl)-2,2-dimethylbutanamide
CID 114312578
N-(3-aminobutyl)-2,2-dimethylbutanamide
CID 63253929
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
CID 106157342

Frequently Asked Questions

What is the IUPAC name of [5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium?
The IUPAC name of [5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium (CID 126518727) is [5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium.
What is the SMILES notation for [5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium?
The canonical SMILES for [5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium is CCC[P+](CCC)(CCC)C(C)(C)CC(C)(C)C(=O)NCCN(CCNC(=O)C(C)(C)CC(C)(C)[P+](CCC)(CCC)CCC)CCNC(=O)C(C)(C)CC(C)(C)[P+](CCC)(CCC)CCC.
What is the InChIKey of [5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium?
The InChIKey is AMDYDXUIIXFLQB-UHFFFAOYSA-Q. The full InChI is InChI=1S/C57H117N4O3P3/c1-22-37-65(38-23-2,39-24-3)55(16,17)46-52(10,11)49(62)58-31-34-61(35-32-59-50(63)53(12,13)47-56(18,19)66(40-25-4,41-26-5)42-27-6)36-33-60-51(64)54(14,15)48-57(20,21)67(43-28-7,44-29-8)45-30-9/h22-48H2,1-21H3/p+3.
What are the key properties of [5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium?
[5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium has a molecular weight of 1002.53 g/mol, XLogP of 14.96, 39 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[bis[2-[(2,2,4-trimethyl-4-tripropylphosphaniumylpentanoyl)amino]ethyl]amino]ethylamino]-2,4,4-trimethyl-5-oxopentan-2-yl]-tripropylphosphanium is sourced from PubChem (CID 126518727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).