2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid

C64H141N13O2 — CID 175074033

IUPAC2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
SMILESCCCCCCCCCCCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCC(=O)O
InChIInChI=1S/C64H141N13O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-38-65-39-14-15-40-66-41-16-17-42-67-43-18-19-44-68-45-20-21-46-69-47-22-23-48-70-49-24-25-50-71-51-26-27-52-72-53-28-29-54-73-55-30-31-56-74-57-32-33-58-75-59-34-35-60-76-61-36-37-62-77-63-64(78)79/h65-77H,2-63H2,1H3,(H,78,79)
InChIKeyVOTHTIQOTPQFJU-UHFFFAOYSA-N
MW1124.92 g/mol
LogP8.80
Rot. Bonds75

About 2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid

2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid (PubChem CID 175074033) has the molecular formula C64H141N13O2 and a molecular weight of 1124.92 g/mol. Its IUPAC name is 2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
PubChem CID175074033
Molecular FormulaC64H141N13O2
Molecular Weight1124.92 g/mol
Exact Mass1124.13
IUPAC Name2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
SMILESCCCCCCCCCCCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCC(=O)O
InChIInChI=1S/C64H141N13O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-38-65-39-14-15-40-66-41-16-17-42-67-43-18-19-44-68-45-20-21-46-69-47-22-23-48-70-49-24-25-50-71-51-26-27-52-72-53-28-29-54-73-55-30-31-56-74-57-32-33-58-75-59-34-35-60-76-61-36-37-62-77-63-64(78)79/h65-77H,2-63H2,1H3,(H,78,79)
InChIKeyVOTHTIQOTPQFJU-UHFFFAOYSA-N
XLogP8.80
TPSA193.69 Ų
H-Bond Donors14
H-Bond Acceptors14
Rotatable Bonds75
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001124.92
LogP ≤ 58.80
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid
CID 10091506
sodium;2-(hexadecylamino)acetic acid;hydride
CID 174739572
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
12-(pentylamino)dodecanoic acid
CID 57245176
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565
13-(hexylamino)tridecanoic acid
CID 21488721
carbonic acid;N-hexylhexan-1-amine
CID 174995198
3-[2-(nonylamino)ethylamino]propanoic acid
CID 102117285
azane;3-(dodecylamino)propanoic acid
CID 174643455

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid?
The IUPAC name of 2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid (CID 175074033) is 2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid.
What is the SMILES notation for 2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid?
The canonical SMILES for 2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid is CCCCCCCCCCCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCC(=O)O.
What is the InChIKey of 2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid?
The InChIKey is VOTHTIQOTPQFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H141N13O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-38-65-39-14-15-40-66-41-16-17-42-67-43-18-19-44-68-45-20-21-46-69-47-22-23-48-70-49-24-25-50-71-51-26-27-52-72-53-28-29-54-73-55-30-31-56-74-57-32-33-58-75-59-34-35-60-76-61-36-37-62-77-63-64(78)79/h65-77H,2-63H2,1H3,(H,78,79).
What are the key properties of 2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid?
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid has a molecular weight of 1124.92 g/mol, XLogP of 8.80, 75 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid is sourced from PubChem (CID 175074033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).