N-ethyl-N'-hexylprop-2-enehydrazide

C11H22N2O — CID 87503833

IUPACN-ethyl-N'-hexylprop-2-enehydrazide
SMILESC=CC(=O)N(CC)NCCCCCC
InChIInChI=1S/C11H22N2O/c1-4-7-8-9-10-12-13(6-3)11(14)5-2/h5,12H,2,4,6-10H2,1,3H3
InChIKeyOIPMIFJNIWYYSR-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.11
Rot. Bonds8

About N-ethyl-N'-hexylprop-2-enehydrazide

N-ethyl-N'-hexylprop-2-enehydrazide (PubChem CID 87503833) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-ethyl-N'-hexylprop-2-enehydrazide.

Molecular Properties

Compound NameN-ethyl-N'-hexylprop-2-enehydrazide
PubChem CID87503833
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-ethyl-N'-hexylprop-2-enehydrazide
SMILESC=CC(=O)N(CC)NCCCCCC
InChIInChI=1S/C11H22N2O/c1-4-7-8-9-10-12-13(6-3)11(14)5-2/h5,12H,2,4,6-10H2,1,3H3
InChIKeyOIPMIFJNIWYYSR-UHFFFAOYSA-N
XLogP2.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydrazinylpentan-2-yl)prop-2-enamide
CID 21689825
1-(Diazepan-1-yl)prop-2-en-1-one
CID 67353307
1-(Hexylamino)pyrrole-2,5-dione;hydrochloride
CID 68628926
1-(Hexylamino)pyrrole-2,5-dione
CID 68628927
2-hexyl-1H-pyrazol-3-one
CID 69771331
2-pentyl-1H-pyridazine-3,6-dione
CID 70599423
N'-pentylprop-2-enehydrazide
CID 87501210
N-ethyl-N'-pentylprop-2-enehydrazide
CID 87503677
N'-hexyl-N-methylprop-2-enehydrazide
CID 87503698
N'-butyl-N-ethylprop-2-enehydrazide
CID 87503828
N-butyl-N'-ethylprop-2-enehydrazide
CID 87503885
N,N'-dipropylprop-2-enehydrazide
CID 87503938

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-hexylprop-2-enehydrazide?
The IUPAC name of N-ethyl-N'-hexylprop-2-enehydrazide (CID 87503833) is N-ethyl-N'-hexylprop-2-enehydrazide.
What is the SMILES notation for N-ethyl-N'-hexylprop-2-enehydrazide?
The canonical SMILES for N-ethyl-N'-hexylprop-2-enehydrazide is C=CC(=O)N(CC)NCCCCCC.
What is the InChIKey of N-ethyl-N'-hexylprop-2-enehydrazide?
The InChIKey is OIPMIFJNIWYYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-7-8-9-10-12-13(6-3)11(14)5-2/h5,12H,2,4,6-10H2,1,3H3.
What are the key properties of N-ethyl-N'-hexylprop-2-enehydrazide?
N-ethyl-N'-hexylprop-2-enehydrazide has a molecular weight of 198.31 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-hexylprop-2-enehydrazide is sourced from PubChem (CID 87503833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).