N-butyl-N'-hexylprop-2-enehydrazide

C13H26N2O — CID 87504488

IUPACN-butyl-N'-hexylprop-2-enehydrazide
SMILESC=CC(=O)N(CCCC)NCCCCCC
InChIInChI=1S/C13H26N2O/c1-4-7-9-10-11-14-15(12-8-5-2)13(16)6-3/h6,14H,3-5,7-12H2,1-2H3
InChIKeyMCOKSHXZLMRIPU-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.89
Rot. Bonds10

About N-butyl-N'-hexylprop-2-enehydrazide

N-butyl-N'-hexylprop-2-enehydrazide (PubChem CID 87504488) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-butyl-N'-hexylprop-2-enehydrazide.

Molecular Properties

Compound NameN-butyl-N'-hexylprop-2-enehydrazide
PubChem CID87504488
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-butyl-N'-hexylprop-2-enehydrazide
SMILESC=CC(=O)N(CCCC)NCCCCCC
InChIInChI=1S/C13H26N2O/c1-4-7-9-10-11-14-15(12-8-5-2)13(16)6-3/h6,14H,3-5,7-12H2,1-2H3
InChIKeyMCOKSHXZLMRIPU-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.89
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-butyl-N'-hexylprop-2-enehydrazide?
The IUPAC name of N-butyl-N'-hexylprop-2-enehydrazide (CID 87504488) is N-butyl-N'-hexylprop-2-enehydrazide.
What is the SMILES notation for N-butyl-N'-hexylprop-2-enehydrazide?
The canonical SMILES for N-butyl-N'-hexylprop-2-enehydrazide is C=CC(=O)N(CCCC)NCCCCCC.
What is the InChIKey of N-butyl-N'-hexylprop-2-enehydrazide?
The InChIKey is MCOKSHXZLMRIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-7-9-10-11-14-15(12-8-5-2)13(16)6-3/h6,14H,3-5,7-12H2,1-2H3.
What are the key properties of N-butyl-N'-hexylprop-2-enehydrazide?
N-butyl-N'-hexylprop-2-enehydrazide has a molecular weight of 226.36 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-hexylprop-2-enehydrazide is sourced from PubChem (CID 87504488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).