2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid

C26H44N2O4 — CID 22615856

IUPAC2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid
SMILESCN1C2CCC1CC(C(CCCCCCCC(=O)O)(C(=O)O)C1CC3CCC(C1)N3C)C2
InChIInChI=1S/C26H44N2O4/c1-27-20-9-10-21(27)15-18(14-20)26(25(31)32,13-7-5-3-4-6-8-24(29)30)19-16-22-11-12-23(17-19)28(22)2/h18-23H,3-17H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyAXTVRVYSOYAJFD-UHFFFAOYSA-N
MW448.65 g/mol
LogP4.62
Rot. Bonds11

About 2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid

2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid (PubChem CID 22615856) has the molecular formula C26H44N2O4 and a molecular weight of 448.65 g/mol. Its IUPAC name is 2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid.

Molecular Properties

Compound Name2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid
PubChem CID22615856
Molecular FormulaC26H44N2O4
Molecular Weight448.65 g/mol
Exact Mass448.33
IUPAC Name2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid
SMILESCN1C2CCC1CC(C(CCCCCCCC(=O)O)(C(=O)O)C1CC3CCC(C1)N3C)C2
InChIInChI=1S/C26H44N2O4/c1-27-20-9-10-21(27)15-18(14-20)26(25(31)32,13-7-5-3-4-6-8-24(29)30)19-16-22-11-12-23(17-19)28(22)2/h18-23H,3-17H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyAXTVRVYSOYAJFD-UHFFFAOYSA-N
XLogP4.62
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.65
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)decanedioic acid diiodide
CID 70156589
2,2-di(cyclododecyl)dodecanedioic acid
CID 121470791
2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid
CID 19780675
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid
CID 21293228
azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
CID 118368680
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid
CID 21293230
bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) decanedioate
CID 22615900
2-methyl-2-piperidin-4-yldecanedioic acid
CID 67134863
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate
CID 88746515
16,16,16-trihydroxyhexadecanoic acid
CID 57274124
2,2-dimethyloctanedioic acid
CID 21225473
2,2-dimethylicosanedioic acid
CID 87760954

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid?
The IUPAC name of 2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid (CID 22615856) is 2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid.
What is the SMILES notation for 2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid?
The canonical SMILES for 2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid is CN1C2CCC1CC(C(CCCCCCCC(=O)O)(C(=O)O)C1CC3CCC(C1)N3C)C2.
What is the InChIKey of 2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid?
The InChIKey is AXTVRVYSOYAJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O4/c1-27-20-9-10-21(27)15-18(14-20)26(25(31)32,13-7-5-3-4-6-8-24(29)30)19-16-22-11-12-23(17-19)28(22)2/h18-23H,3-17H2,1-2H3,(H,29,30)(H,31,32).
What are the key properties of 2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid?
2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid has a molecular weight of 448.65 g/mol, XLogP of 4.62, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid is sourced from PubChem (CID 22615856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).