N'-(5-methylhexan-2-yl)acetohydrazide

C9H20N2O — CID 134883685

IUPACN'-(5-methylhexan-2-yl)acetohydrazide
SMILESCC(=O)NNC(C)CCC(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)5-6-8(3)10-11-9(4)12/h7-8,10H,5-6H2,1-4H3,(H,11,12)
InChIKeyNEZQUJMFVOWCOU-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.45
Rot. Bonds5

About N'-(5-methylhexan-2-yl)acetohydrazide

N'-(5-methylhexan-2-yl)acetohydrazide (PubChem CID 134883685) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-(5-methylhexan-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(5-methylhexan-2-yl)acetohydrazide
PubChem CID134883685
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-(5-methylhexan-2-yl)acetohydrazide
SMILESCC(=O)NNC(C)CCC(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)5-6-8(3)10-11-9(4)12/h7-8,10H,5-6H2,1-4H3,(H,11,12)
InChIKeyNEZQUJMFVOWCOU-UHFFFAOYSA-N
XLogP1.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid N'-hexyl-hydrazide
CID 15210594
N-(Propan-2-yl)-2-propylpentanehydrazonic acid
CID 217060
N-Cyclohexyl-2-propylpentanehydrazonic acid
CID 217062
N'-(cyclohexylmethyl)acetohydrazide
CID 15210595
N'-(1-cyclohexylethyl)acetohydrazide
CID 24832422
Acetic acid, 2-(1-cyclohexylethyl)hydrazide, hydrochloride
CID 24832421
N'-cyclohexylacetohydrazide
CID 12078433
2'-Isobutyl-4-methylvalerohydrazide
CID 17902399
N'-(4-methylpentyl)hexanehydrazide
CID 21477523
N'-(2-methylpentyl)hexanehydrazide
CID 21477539
N'-cyclohexyl-2,2-dimethylpropanehydrazide
CID 22613391
N'-cyclohexyl-3-methylbutanehydrazide
CID 22613406

Frequently Asked Questions

What is the IUPAC name of N'-(5-methylhexan-2-yl)acetohydrazide?
The IUPAC name of N'-(5-methylhexan-2-yl)acetohydrazide (CID 134883685) is N'-(5-methylhexan-2-yl)acetohydrazide.
What is the SMILES notation for N'-(5-methylhexan-2-yl)acetohydrazide?
The canonical SMILES for N'-(5-methylhexan-2-yl)acetohydrazide is CC(=O)NNC(C)CCC(C)C.
What is the InChIKey of N'-(5-methylhexan-2-yl)acetohydrazide?
The InChIKey is NEZQUJMFVOWCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)5-6-8(3)10-11-9(4)12/h7-8,10H,5-6H2,1-4H3,(H,11,12).
What are the key properties of N'-(5-methylhexan-2-yl)acetohydrazide?
N'-(5-methylhexan-2-yl)acetohydrazide has a molecular weight of 172.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methylhexan-2-yl)acetohydrazide is sourced from PubChem (CID 134883685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).