(2S)-2-ethylhexanehydrazide

C8H18N2O — CID 40549650

IUPAC(2S)-2-ethylhexanehydrazide
SMILESCCCC[C@H](CC)C(=O)NN
InChIInChI=1S/C8H18N2O/c1-3-5-6-7(4-2)8(11)10-9/h7H,3-6,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyWOTFFLFEMKUWOF-ZETCQYMHSA-N
MW158.25 g/mol
LogP1.19
Rot. Bonds5

About (2S)-2-ethylhexanehydrazide

(2S)-2-ethylhexanehydrazide (PubChem CID 40549650) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is (2S)-2-ethylhexanehydrazide.

Molecular Properties

Compound Name(2S)-2-ethylhexanehydrazide
PubChem CID40549650
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name(2S)-2-ethylhexanehydrazide
SMILESCCCC[C@H](CC)C(=O)NN
InChIInChI=1S/C8H18N2O/c1-3-5-6-7(4-2)8(11)10-9/h7H,3-6,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyWOTFFLFEMKUWOF-ZETCQYMHSA-N
XLogP1.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.19
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

2-propylhexanehydrazide
CID 86746660
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-ethyl-N-pentylhexanamide
CID 5123867
2-octylbutanedihydrazide
CID 19764915
N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739
N-carbamoyl-2-ethylheptanamide
CID 3032098
2-ethyl-N-methyltetradecanamide
CID 161072731
N-(3,3-dimethylbutan-2-yl)-2-ethylhexanamide
CID 58709489
2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873
3,5-diethylnonan-4-one
CID 115785527
lithium;2-ethylhexanamide;hydride
CID 173043498
N-[3-(aminomethyl)pentan-3-yl]-2-ethylhexanamide;hydrochloride
CID 120607591

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethylhexanehydrazide?
The IUPAC name of (2S)-2-ethylhexanehydrazide (CID 40549650) is (2S)-2-ethylhexanehydrazide.
What is the SMILES notation for (2S)-2-ethylhexanehydrazide?
The canonical SMILES for (2S)-2-ethylhexanehydrazide is CCCC[C@H](CC)C(=O)NN.
What is the InChIKey of (2S)-2-ethylhexanehydrazide?
The InChIKey is WOTFFLFEMKUWOF-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-5-6-7(4-2)8(11)10-9/h7H,3-6,9H2,1-2H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-ethylhexanehydrazide?
(2S)-2-ethylhexanehydrazide has a molecular weight of 158.25 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethylhexanehydrazide is sourced from PubChem (CID 40549650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).