3,5,5-trimethylhexanehydrazide

C9H20N2O — CID 142619235

IUPAC3,5,5-trimethylhexanehydrazide
SMILESCC(CC(=O)NN)CC(C)(C)C
InChIInChI=1S/C9H20N2O/c1-7(5-8(12)11-10)6-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyNFXZUTVKDAPBQM-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.44
Rot. Bonds3

About 3,5,5-trimethylhexanehydrazide

3,5,5-trimethylhexanehydrazide (PubChem CID 142619235) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3,5,5-trimethylhexanehydrazide.

Molecular Properties

Compound Name3,5,5-trimethylhexanehydrazide
PubChem CID142619235
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3,5,5-trimethylhexanehydrazide
SMILESCC(CC(=O)NN)CC(C)(C)C
InChIInChI=1S/C9H20N2O/c1-7(5-8(12)11-10)6-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12)
InChIKeyNFXZUTVKDAPBQM-UHFFFAOYSA-N
XLogP1.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
CID 115303265
3,5,5-trimethyl-N-(3-oxobutan-2-yl)hexanamide
CID 64997307
N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide
CID 43500958
N-(3-aminobutyl)-3,5,5-trimethylhexanamide
CID 63253495
N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide
CID 65190783
2-(3,5,5-trimethylhexanoylamino)oxyacetic acid
CID 63912304
(3R)-5-hydrazinyl-3-methyl-5-oxopentanamide
CID 173105688
3-methylhexanedihydrazide
CID 141312622
N-(2-chloroethyl)-3,5,5-trimethylhexanamide
CID 61286860
CID 5484103
CID 5484103
2-(3,5,5-trimethylhexanoyloxy)ethyl 3,5,5-trimethylhexanoate
CID 91728705
(2R)-4-amino-4-oxo-2-(3,5,5-trimethylhexanoylamino)butanoic acid
CID 114004733

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethylhexanehydrazide?
The IUPAC name of 3,5,5-trimethylhexanehydrazide (CID 142619235) is 3,5,5-trimethylhexanehydrazide.
What is the SMILES notation for 3,5,5-trimethylhexanehydrazide?
The canonical SMILES for 3,5,5-trimethylhexanehydrazide is CC(CC(=O)NN)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethylhexanehydrazide?
The InChIKey is NFXZUTVKDAPBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(5-8(12)11-10)6-9(2,3)4/h7H,5-6,10H2,1-4H3,(H,11,12).
What are the key properties of 3,5,5-trimethylhexanehydrazide?
3,5,5-trimethylhexanehydrazide has a molecular weight of 172.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethylhexanehydrazide is sourced from PubChem (CID 142619235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).