2,2,3-trimethylhexanedihydrazide

C9H20N4O2 — CID 20506897

IUPAC2,2,3-trimethylhexanedihydrazide
SMILESCC(CCC(=O)NN)C(C)(C)C(=O)NN
InChIInChI=1S/C9H20N4O2/c1-6(4-5-7(14)12-10)9(2,3)8(15)13-11/h6H,4-5,10-11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyBDFXCSNFIZEINQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.59
Rot. Bonds5

About 2,2,3-trimethylhexanedihydrazide

2,2,3-trimethylhexanedihydrazide (PubChem CID 20506897) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,2,3-trimethylhexanedihydrazide.

Molecular Properties

Compound Name2,2,3-trimethylhexanedihydrazide
PubChem CID20506897
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Name2,2,3-trimethylhexanedihydrazide
SMILESCC(CCC(=O)NN)C(C)(C)C(=O)NN
InChIInChI=1S/C9H20N4O2/c1-6(4-5-7(14)12-10)9(2,3)8(15)13-11/h6H,4-5,10-11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyBDFXCSNFIZEINQ-UHFFFAOYSA-N
XLogP-0.59
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylhexanohydrazide
CID 3496881
Valeric acid, 2-propyl-, hydrazide
CID 211190
2,2,3,3-tetramethyl-N'-(2,2,3,3-tetramethylcyclopropanecarbonyl)cyclopropane-1-carbohydrazide
CID 11414829
2,2,3,3-Tetramethylcyclopropane-1-carbohydrazide
CID 11457816
Pentane-1,3,5-tricarbohydrazide
CID 18368507
1-N',6-N'-bis(2-methylpropanoyl)hexanedihydrazide
CID 21679498
2-ethyl-N'-(2-ethylhexanoyl)hexanehydrazide
CID 17771073
N'-pentanoylcyclohexanecarbohydrazide
CID 18385561
5-Methylhexanehydrazide
CID 18431845
N'-(4,4-dimethylpentanoyl)-4,4-dimethylpentanehydrazide
CID 19031688
3-methyl-N'-(4-methylhexanoyl)hexanehydrazide
CID 19069832
2-Butylbutanoic acid 2-(2-cyanoacetyl)hydrazide
CID 19902487

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethylhexanedihydrazide?
The IUPAC name of 2,2,3-trimethylhexanedihydrazide (CID 20506897) is 2,2,3-trimethylhexanedihydrazide.
What is the SMILES notation for 2,2,3-trimethylhexanedihydrazide?
The canonical SMILES for 2,2,3-trimethylhexanedihydrazide is CC(CCC(=O)NN)C(C)(C)C(=O)NN.
What is the InChIKey of 2,2,3-trimethylhexanedihydrazide?
The InChIKey is BDFXCSNFIZEINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-6(4-5-7(14)12-10)9(2,3)8(15)13-11/h6H,4-5,10-11H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of 2,2,3-trimethylhexanedihydrazide?
2,2,3-trimethylhexanedihydrazide has a molecular weight of 216.28 g/mol, XLogP of -0.59, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethylhexanedihydrazide is sourced from PubChem (CID 20506897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).