39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid

C39H82N4O2 — CID 142420467

IUPAC39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid
SMILESNNNNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C39H82N4O2/c40-42-43-41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(44)45/h41-43H,1-38,40H2,(H,44,45)
InChIKeyZXTWRVADWSXIRY-UHFFFAOYSA-N
MW639.11 g/mol
LogP11.98
Rot. Bonds41

About 39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid

39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid (PubChem CID 142420467) has the molecular formula C39H82N4O2 and a molecular weight of 639.11 g/mol. Its IUPAC name is 39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid.

Molecular Properties

Compound Name39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid
PubChem CID142420467
Molecular FormulaC39H82N4O2
Molecular Weight639.11 g/mol
Exact Mass638.64
IUPAC Name39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid
SMILESNNNNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C39H82N4O2/c40-42-43-41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(44)45/h41-43H,1-38,40H2,(H,44,45)
InChIKeyZXTWRVADWSXIRY-UHFFFAOYSA-N
XLogP11.98
TPSA99.41 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds41
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.11
LogP ≤ 511.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

11-(2-hydrazinylhydrazinyl)undecanoic acid
CID 142469091
7-[2-(carboxyamino)hydrazinyl]heptanoic acid
CID 19902964
17-[2-(2-carboxyhydrazinyl)hydrazinyl]heptadecanoic acid
CID 87380945
35-[2-[2-(2-carboxyhydrazinyl)hydrazinyl]hydrazinyl]pentatriacontanoic acid
CID 150834717
5-hydrazinylpentanoic acid
CID 175506840
octanedioic acid;zinc
CID 87285694
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
tridecanedioic acid;undecanedioic acid
CID 158333715

Frequently Asked Questions

What is the IUPAC name of 39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid?
The IUPAC name of 39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid (CID 142420467) is 39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid.
What is the SMILES notation for 39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid?
The canonical SMILES for 39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid is NNNNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid?
The InChIKey is ZXTWRVADWSXIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H82N4O2/c40-42-43-41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(44)45/h41-43H,1-38,40H2,(H,44,45).
What are the key properties of 39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid?
39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid has a molecular weight of 639.11 g/mol, XLogP of 11.98, 41 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 39-(2-hydrazinylhydrazinyl)nonatriacontanoic acid is sourced from PubChem (CID 142420467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).