N'-hexyl-N-propylprop-2-enehydrazide

C12H24N2O — CID 87503961

IUPACN'-hexyl-N-propylprop-2-enehydrazide
SMILESC=CC(=O)N(CCC)NCCCCCC
InChIInChI=1S/C12H24N2O/c1-4-7-8-9-10-13-14(11-5-2)12(15)6-3/h6,13H,3-5,7-11H2,1-2H3
InChIKeyVSXDQTMNGYORFC-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.50
Rot. Bonds9

About N'-hexyl-N-propylprop-2-enehydrazide

N'-hexyl-N-propylprop-2-enehydrazide (PubChem CID 87503961) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N'-hexyl-N-propylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-hexyl-N-propylprop-2-enehydrazide
PubChem CID87503961
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN'-hexyl-N-propylprop-2-enehydrazide
SMILESC=CC(=O)N(CCC)NCCCCCC
InChIInChI=1S/C12H24N2O/c1-4-7-8-9-10-13-14(11-5-2)12(15)6-3/h6,13H,3-5,7-11H2,1-2H3
InChIKeyVSXDQTMNGYORFC-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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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Related Compounds

N-hexylprop-2-enamide;N-methylmethanamine
CID 20566081
N-(5-hydrazinylpentan-2-yl)prop-2-enamide
CID 21689825
Trimethyl-[6-(prop-2-enoylamino)hexyl]azanium
CID 23435061
N-[6-(dimethylamino)hexyl]prop-2-enamide
CID 53797519
N'-tert-butyl-N-propylprop-2-enehydrazide
CID 53914607
N-[6-(diethylamino)hexyl]prop-2-enamide
CID 60056616
2-pentyl-1H-pyrazol-3-one
CID 66714758
1-(Diazepan-1-yl)prop-2-en-1-one
CID 67353307
1-(Hexylamino)pyrrole-2,5-dione
CID 68628927
2-hexyl-1H-pyrazol-3-one
CID 69771331
2-(5-aminopentyl)-1H-pyrazol-3-one
CID 70524379
2-pentyl-1H-pyridazine-3,6-dione
CID 70599423

Frequently Asked Questions

What is the IUPAC name of N'-hexyl-N-propylprop-2-enehydrazide?
The IUPAC name of N'-hexyl-N-propylprop-2-enehydrazide (CID 87503961) is N'-hexyl-N-propylprop-2-enehydrazide.
What is the SMILES notation for N'-hexyl-N-propylprop-2-enehydrazide?
The canonical SMILES for N'-hexyl-N-propylprop-2-enehydrazide is C=CC(=O)N(CCC)NCCCCCC.
What is the InChIKey of N'-hexyl-N-propylprop-2-enehydrazide?
The InChIKey is VSXDQTMNGYORFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-7-8-9-10-13-14(11-5-2)12(15)6-3/h6,13H,3-5,7-11H2,1-2H3.
What are the key properties of N'-hexyl-N-propylprop-2-enehydrazide?
N'-hexyl-N-propylprop-2-enehydrazide has a molecular weight of 212.34 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexyl-N-propylprop-2-enehydrazide is sourced from PubChem (CID 87503961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).