azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid

C28H58N4O4 — CID 118368680

IUPACazane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
SMILESCC1(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.N.N
InChIInChI=1S/C28H52N2O4.2H3N/c1-24(2)16-20(17-25(3,4)29-24)28(23(33)34,15-13-11-9-10-12-14-22(31)32)21-18-26(5,6)30-27(7,8)19-21;;/h20-21,29-30H,9-19H2,1-8H3,(H,31,32)(H,33,34);2*1H3
InChIKeyNEZXZXHOJXJILL-UHFFFAOYSA-N
MW514.80 g/mol
LogP6.31
Rot. Bonds11

About azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid

azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid (PubChem CID 118368680) has the molecular formula C28H58N4O4 and a molecular weight of 514.80 g/mol. Its IUPAC name is azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid.

Molecular Properties

Compound Nameazane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
PubChem CID118368680
Molecular FormulaC28H58N4O4
Molecular Weight514.80 g/mol
Exact Mass514.45
IUPAC Nameazane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
SMILESCC1(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.N.N
InChIInChI=1S/C28H52N2O4.2H3N/c1-24(2)16-20(17-25(3,4)29-24)28(23(33)34,15-13-11-9-10-12-14-22(31)32)21-18-26(5,6)30-27(7,8)19-21;;/h20-21,29-30H,9-19H2,1-8H3,(H,31,32)(H,33,34);2*1H3
InChIKeyNEZXZXHOJXJILL-UHFFFAOYSA-N
XLogP6.31
TPSA168.66 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500514.80
LogP ≤ 56.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid
CID 21293228
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid
CID 21293230
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate
CID 88746515
2,2-di(cyclododecyl)dodecanedioic acid
CID 121470791
2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid
CID 22615856
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
10-oxo-10-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]decanoic acid
CID 11638683
ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol
CID 174733730
2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid
CID 19780675
2,2-bis(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)decanedioic acid diiodide
CID 70156589
3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid
CID 67448789
5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanoic acid
CID 3133160

Frequently Asked Questions

What is the IUPAC name of azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid?
The IUPAC name of azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid (CID 118368680) is azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid.
What is the SMILES notation for azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid?
The canonical SMILES for azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid is CC1(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.N.N.
What is the InChIKey of azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid?
The InChIKey is NEZXZXHOJXJILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O4.2H3N/c1-24(2)16-20(17-25(3,4)29-24)28(23(33)34,15-13-11-9-10-12-14-22(31)32)21-18-26(5,6)30-27(7,8)19-21;;/h20-21,29-30H,9-19H2,1-8H3,(H,31,32)(H,33,34);2*1H3.
What are the key properties of azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid?
azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid has a molecular weight of 514.80 g/mol, XLogP of 6.31, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid is sourced from PubChem (CID 118368680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).