N-ethyl-N'-hexyl-2-methylprop-2-enehydrazide

C12H24N2O — CID 87503956

IUPACN-ethyl-N'-hexyl-2-methylprop-2-enehydrazide
SMILESC=C(C)C(=O)N(CC)NCCCCCC
InChIInChI=1S/C12H24N2O/c1-5-7-8-9-10-13-14(6-2)12(15)11(3)4/h13H,3,5-10H2,1-2,4H3
InChIKeyPKIYHYTYBQRKKT-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.50
Rot. Bonds8

About N-ethyl-N'-hexyl-2-methylprop-2-enehydrazide

N-ethyl-N'-hexyl-2-methylprop-2-enehydrazide (PubChem CID 87503956) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-ethyl-N'-hexyl-2-methylprop-2-enehydrazide.

Molecular Properties

Compound NameN-ethyl-N'-hexyl-2-methylprop-2-enehydrazide
PubChem CID87503956
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-ethyl-N'-hexyl-2-methylprop-2-enehydrazide
SMILESC=C(C)C(=O)N(CC)NCCCCCC
InChIInChI=1S/C12H24N2O/c1-5-7-8-9-10-13-14(6-2)12(15)11(3)4/h13H,3,5-10H2,1-2,4H3
InChIKeyPKIYHYTYBQRKKT-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-hexyl-2-methylprop-2-enehydrazide?
The IUPAC name of N-ethyl-N'-hexyl-2-methylprop-2-enehydrazide (CID 87503956) is N-ethyl-N'-hexyl-2-methylprop-2-enehydrazide.
What is the SMILES notation for N-ethyl-N'-hexyl-2-methylprop-2-enehydrazide?
The canonical SMILES for N-ethyl-N'-hexyl-2-methylprop-2-enehydrazide is C=C(C)C(=O)N(CC)NCCCCCC.
What is the InChIKey of N-ethyl-N'-hexyl-2-methylprop-2-enehydrazide?
The InChIKey is PKIYHYTYBQRKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-7-8-9-10-13-14(6-2)12(15)11(3)4/h13H,3,5-10H2,1-2,4H3.
What are the key properties of N-ethyl-N'-hexyl-2-methylprop-2-enehydrazide?
N-ethyl-N'-hexyl-2-methylprop-2-enehydrazide has a molecular weight of 212.34 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-hexyl-2-methylprop-2-enehydrazide is sourced from PubChem (CID 87503956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).