5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid

C29H66N10O4 — CID 140961640

IUPAC5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid
SMILESCCC(CC(C)(C)C(=O)OCCNCCNCCNCCNCCNCCNCCNCCNCCNCCN)C(=O)O
InChIInChI=1S/C29H66N10O4/c1-4-26(27(40)41)25-29(2,3)28(42)43-24-23-39-22-21-38-20-19-37-18-17-36-16-15-35-14-13-34-12-11-33-10-9-32-8-7-31-6-5-30/h26,31-39H,4-25,30H2,1-3H3,(H,40,41)
InChIKeyWLSJNKGJARQTDV-UHFFFAOYSA-N
MW618.91 g/mol
LogP-2.68
Rot. Bonds34

About 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid

5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid (PubChem CID 140961640) has the molecular formula C29H66N10O4 and a molecular weight of 618.91 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid
PubChem CID140961640
Molecular FormulaC29H66N10O4
Molecular Weight618.91 g/mol
Exact Mass618.53
IUPAC Name5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid
SMILESCCC(CC(C)(C)C(=O)OCCNCCNCCNCCNCCNCCNCCNCCNCCNCCN)C(=O)O
InChIInChI=1S/C29H66N10O4/c1-4-26(27(40)41)25-29(2,3)28(42)43-24-23-39-22-21-38-20-19-37-18-17-36-16-15-35-14-13-34-12-11-33-10-9-32-8-7-31-6-5-30/h26,31-39H,4-25,30H2,1-3H3,(H,40,41)
InChIKeyWLSJNKGJARQTDV-UHFFFAOYSA-N
XLogP-2.68
TPSA197.89 Ų
H-Bond Donors11
H-Bond Acceptors13
Rotatable Bonds34
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500618.91
LogP ≤ 5-2.68
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 5-O-methyl 4-ethyl-2,2-dimethylpentanedioate
CID 22090165
5-(2-hydroxyethoxy)-4,4-dimethyl-5-oxo-2-propylpentanoic acid
CID 22900782
1-O-dodecyl 5-O-ethyl 4-ethyl-2,2-dimethylpentanedioate
CID 59893524
2-(butylamino)ethyl 2,2-dimethylpropanoate
CID 82532408
dimethyl 4-[[2-[2-[(5-methoxy-2-methoxycarbonyl-4,4-dimethyl-5-oxopentyl)amino]ethylamino]ethylamino]methyl]-2,2-dimethylpentanedioate
CID 24994478
1-O-(5,5-dimethyl-4-oxoheptyl) 3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O,21-O,23-O,25-O,27-O,29-O,31-O,33-O,35-O,37-O,39-O,41-O,43-O,45-O,47-O,49-O,51-O,53-O,55-O,57-O,59-O,61-O,63-O,65-O,67-O,69-O,71-O,73-O,75-O,77-O,79-O,81-O,83-O,85-O,87-O,89-O,91-O,93-O,95-O,97-O,99-O,101-O-pentacontamethyl 1,1-dimethyltrihectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101-henpentacontacarboxylate
CID 58195578
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
magnesium;bis(2-ethylbutanoic acid);hydride
CID 174895693
N-butylbutan-1-amine;2-ethylhexanoic acid
CID 22182206
3-aminopropyl 2,2-dimethylbutanoate
CID 88947753
6-amino-2-ethylhexanoic acid;azane
CID 88821488

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid (CID 140961640) is 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid is CCC(CC(C)(C)C(=O)OCCNCCNCCNCCNCCNCCNCCNCCNCCNCCN)C(=O)O.
What is the InChIKey of 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid?
The InChIKey is WLSJNKGJARQTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H66N10O4/c1-4-26(27(40)41)25-29(2,3)28(42)43-24-23-39-22-21-38-20-19-37-18-17-36-16-15-35-14-13-34-12-11-33-10-9-32-8-7-31-6-5-30/h26,31-39H,4-25,30H2,1-3H3,(H,40,41).
What are the key properties of 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid?
5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid has a molecular weight of 618.91 g/mol, XLogP of -2.68, 34 rotatable bonds, 11 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 140961640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).