N-butyl-N',N'-diethylprop-2-enehydrazide

C11H22N2O — CID 54122633

IUPACN-butyl-N',N'-diethylprop-2-enehydrazide
SMILESC=CC(=O)N(CCCC)N(CC)CC
InChIInChI=1S/C11H22N2O/c1-5-9-10-13(11(14)6-2)12(7-3)8-4/h6H,2,5,7-10H2,1,3-4H3
InChIKeyNOUPIZNZZWSTBI-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.06
Rot. Bonds7

About N-butyl-N',N'-diethylprop-2-enehydrazide

N-butyl-N',N'-diethylprop-2-enehydrazide (PubChem CID 54122633) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-butyl-N',N'-diethylprop-2-enehydrazide.

Molecular Properties

Compound NameN-butyl-N',N'-diethylprop-2-enehydrazide
PubChem CID54122633
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-butyl-N',N'-diethylprop-2-enehydrazide
SMILESC=CC(=O)N(CCCC)N(CC)CC
InChIInChI=1S/C11H22N2O/c1-5-9-10-13(11(14)6-2)12(7-3)8-4/h6H,2,5,7-10H2,1,3-4H3
InChIKeyNOUPIZNZZWSTBI-UHFFFAOYSA-N
XLogP2.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutylprop-2-enamide
CID 10419855
n,n-Dipropylprop-2-enamide
CID 266287
N-Butyl-N-methyl-2-propenamide
CID 14669957
n,n-Dimethylamino propyl acrylamide
CID 19096916
N-[3-(Diethylamino)propyl]-N-methylacrylamide
CID 21529557
N-(3-dimethylaminopropyl) methyl acrylamide
CID 54223898
N-allyl-N-butylacrylamide
CID 85554438
Dimethylamino ethyl acrylamide
CID 87059356
Trimethyl-[prop-2-enoyl(propyl)amino]azanium
CID 19604698
N-(2,2-dimethylpropyl)-N',N'-dimethylprop-2-enehydrazide
CID 19933790
N',N'-dimethyl-N-propan-2-ylprop-2-enehydrazide
CID 20215341
N',N'-diethyl-N-propan-2-ylprop-2-enehydrazide
CID 20215350

Frequently Asked Questions

What is the IUPAC name of N-butyl-N',N'-diethylprop-2-enehydrazide?
The IUPAC name of N-butyl-N',N'-diethylprop-2-enehydrazide (CID 54122633) is N-butyl-N',N'-diethylprop-2-enehydrazide.
What is the SMILES notation for N-butyl-N',N'-diethylprop-2-enehydrazide?
The canonical SMILES for N-butyl-N',N'-diethylprop-2-enehydrazide is C=CC(=O)N(CCCC)N(CC)CC.
What is the InChIKey of N-butyl-N',N'-diethylprop-2-enehydrazide?
The InChIKey is NOUPIZNZZWSTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-9-10-13(11(14)6-2)12(7-3)8-4/h6H,2,5,7-10H2,1,3-4H3.
What are the key properties of N-butyl-N',N'-diethylprop-2-enehydrazide?
N-butyl-N',N'-diethylprop-2-enehydrazide has a molecular weight of 198.31 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N',N'-diethylprop-2-enehydrazide is sourced from PubChem (CID 54122633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).