3-methylhexanedihydrazide

C7H16N4O2 — CID 141312622

IUPAC3-methylhexanedihydrazide
SMILESCC(CCC(=O)NN)CC(=O)NN
InChIInChI=1S/C7H16N4O2/c1-5(4-7(13)11-9)2-3-6(12)10-8/h5H,2-4,8-9H2,1H3,(H,10,12)(H,11,13)
InChIKeyDFUWBAKRJQJKMC-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.23
Rot. Bonds5

About 3-methylhexanedihydrazide

3-methylhexanedihydrazide (PubChem CID 141312622) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-methylhexanedihydrazide.

Molecular Properties

Compound Name3-methylhexanedihydrazide
PubChem CID141312622
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC Name3-methylhexanedihydrazide
SMILESCC(CCC(=O)NN)CC(=O)NN
InChIInChI=1S/C7H16N4O2/c1-5(4-7(13)11-9)2-3-6(12)10-8/h5H,2-4,8-9H2,1H3,(H,10,12)(H,11,13)
InChIKeyDFUWBAKRJQJKMC-UHFFFAOYSA-N
XLogP-1.23
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.23
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

(3R)-5-hydrazinyl-3-methyl-5-oxopentanamide
CID 173105688
3,5,5-trimethylhexanehydrazide
CID 142619235
methanesulfonic acid;4-methyl-5-methylsulfonylpentanehydrazide
CID 174387884
3-phosphanylbutanehydrazide
CID 163485274
pentane-1,3,5-tricarbohydrazide
CID 18368507
3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide
CID 87665575
3-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
CID 66226073
butanedihydrazide;hydrochloride
CID 54607274
(3R,5S)-heptane-1,3,5,7-tetracarbohydrazide
CID 102254875
(2R)-2-aminopentanedihydrazide
CID 13018201
3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide
CID 140969773
4-(3-amino-2-methylpropyl)sulfanylbutanehydrazide
CID 66224257

Frequently Asked Questions

What is the IUPAC name of 3-methylhexanedihydrazide?
The IUPAC name of 3-methylhexanedihydrazide (CID 141312622) is 3-methylhexanedihydrazide.
What is the SMILES notation for 3-methylhexanedihydrazide?
The canonical SMILES for 3-methylhexanedihydrazide is CC(CCC(=O)NN)CC(=O)NN.
What is the InChIKey of 3-methylhexanedihydrazide?
The InChIKey is DFUWBAKRJQJKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2/c1-5(4-7(13)11-9)2-3-6(12)10-8/h5H,2-4,8-9H2,1H3,(H,10,12)(H,11,13).
What are the key properties of 3-methylhexanedihydrazide?
3-methylhexanedihydrazide has a molecular weight of 188.23 g/mol, XLogP of -1.23, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhexanedihydrazide is sourced from PubChem (CID 141312622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).