bis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate

C55H110N2O5 — CID 169321458

IUPACbis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate
SMILESCCCCCCCCN(CCCCCCCC)CCOC(=O)C(C)(C)CCCCCC(O)CCCCCC(C)(C)C(=O)OCCN(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C55H110N2O5/c1-9-13-17-21-25-35-43-56(44-36-26-22-18-14-10-2)47-49-61-52(59)54(5,6)41-33-29-31-39-51(58)40-32-30-34-42-55(7,8)53(60)62-50-48-57(45-37-27-23-19-15-11-3)46-38-28-24-20-16-12-4/h51,58H,9-50H2,1-8H3
InChIKeyNDVRLDWLYCFSOW-UHFFFAOYSA-N
MW879.49 g/mol
LogP15.43
Rot. Bonds48

About bis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate

bis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate (PubChem CID 169321458) has the molecular formula C55H110N2O5 and a molecular weight of 879.49 g/mol. Its IUPAC name is bis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate.

Molecular Properties

Compound Namebis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate
PubChem CID169321458
Molecular FormulaC55H110N2O5
Molecular Weight879.49 g/mol
Exact Mass878.84
IUPAC Namebis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate
SMILESCCCCCCCCN(CCCCCCCC)CCOC(=O)C(C)(C)CCCCCC(O)CCCCCC(C)(C)C(=O)OCCN(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C55H110N2O5/c1-9-13-17-21-25-35-43-56(44-36-26-22-18-14-10-2)47-49-61-52(59)54(5,6)41-33-29-31-39-51(58)40-32-30-34-42-55(7,8)53(60)62-50-48-57(45-37-27-23-19-15-11-3)46-38-28-24-20-16-12-4/h51,58H,9-50H2,1-8H3
InChIKeyNDVRLDWLYCFSOW-UHFFFAOYSA-N
XLogP15.43
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds48
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.49
LogP ≤ 515.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze bis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate 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

bis(2-heptylnonyl) 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate
CID 169321403
2-[methyl(octyl)amino]ethyl 2,2-dimethylheptanoate
CID 170351919
2-(dibutylamino)ethyl 4-hydroxyundecanoate
CID 153313038
1-O-nonyl 15-O-(4-pentylnonyl) 8-hydroxy-2,2-dimethylpentadecanedioate
CID 176756129
propyl 2,2-dimethylhexadecanoate
CID 57107993
nonyl 8-[2-hydroxyethyl-[8-oxo-8-(6-propylnonoxy)octyl]amino]-2,2-dimethyloctanoate
CID 176602861
heptadecan-9-yl 8-[3-hydroxypropyl(6-nonoxycarbonyloxyhexyl)amino]-2,2-dimethyloctanoate
CID 176602883
pentyl 11-amino-2,2,12-trimethyltridecanoate
CID 20518074
7-hydroxy-2,2-dimethyltridecanoic acid
CID 59660145
ethane;undecyl 6-bromo-2,2-dimethylhexanoate
CID 170975848
nonadecan-10-yl 8-[(6-dodecoxy-6-oxohexyl)-(2-hydroxyethyl)amino]-2,2-dimethyloctanoate
CID 176602668
dioctyl 8-[3-(dimethylamino)propanoyloxy]-2,2,14,14-tetramethylpentadecanedioate
CID 169321424

Frequently Asked Questions

What is the IUPAC name of bis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate?
The IUPAC name of bis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate (CID 169321458) is bis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate.
What is the SMILES notation for bis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate?
The canonical SMILES for bis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate is CCCCCCCCN(CCCCCCCC)CCOC(=O)C(C)(C)CCCCCC(O)CCCCCC(C)(C)C(=O)OCCN(CCCCCCCC)CCCCCCCC.
What is the InChIKey of bis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate?
The InChIKey is NDVRLDWLYCFSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H110N2O5/c1-9-13-17-21-25-35-43-56(44-36-26-22-18-14-10-2)47-49-61-52(59)54(5,6)41-33-29-31-39-51(58)40-32-30-34-42-55(7,8)53(60)62-50-48-57(45-37-27-23-19-15-11-3)46-38-28-24-20-16-12-4/h51,58H,9-50H2,1-8H3.
What are the key properties of bis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate?
bis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate has a molecular weight of 879.49 g/mol, XLogP of 15.43, 48 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(dioctylamino)ethyl] 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate is sourced from PubChem (CID 169321458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).