4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide

C12H25N3O — CID 141156018

IUPAC4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide
SMILESCCCN(CC=CC(=O)NN(C)C)CCC
InChIInChI=1S/C12H25N3O/c1-5-9-15(10-6-2)11-7-8-12(16)13-14(3)4/h7-8H,5-6,9-11H2,1-4H3,(H,13,16)
InChIKeyVNAXOARUCAHUBS-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.26
Rot. Bonds8

About 4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide

4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide (PubChem CID 141156018) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide.

Molecular Properties

Compound Name4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide
PubChem CID141156018
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide
SMILESCCCN(CC=CC(=O)NN(C)C)CCC
InChIInChI=1S/C12H25N3O/c1-5-9-15(10-6-2)11-7-8-12(16)13-14(3)4/h7-8H,5-6,9-11H2,1-4H3,(H,13,16)
InChIKeyVNAXOARUCAHUBS-UHFFFAOYSA-N
XLogP1.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
N,N-diallyl-N'-acetylhydrazine
CID 12113025
Crotonic 2,2-dimethylhydrazide
CID 21704825
(E)-4-(Diethylamino)but-2-enamide
CID 10797010
N',N'-bis(prop-2-enyl)propanehydrazide
CID 20437800
N'-methyl-N'-propylprop-2-enehydrazide
CID 23187780
Dimethyl-(prop-2-enoylamino)-propylazanium
CID 54001668
But-2-enoyl-dimethyl-(propylamino)azanium
CID 54013485
4-(Diethylamino)but-2-enamide
CID 54303069
Dimethyl-(2-methylbut-2-enoyl)-(propylamino)azanium
CID 54402027
Ethyl-dimethyl-(prop-2-enoylamino)azanium
CID 54552793
Methyl-(propanoylamino)-bis(prop-2-enyl)azanium
CID 57048838

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide?
The IUPAC name of 4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide (CID 141156018) is 4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide.
What is the SMILES notation for 4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide?
The canonical SMILES for 4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide is CCCN(CC=CC(=O)NN(C)C)CCC.
What is the InChIKey of 4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide?
The InChIKey is VNAXOARUCAHUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-9-15(10-6-2)11-7-8-12(16)13-14(3)4/h7-8H,5-6,9-11H2,1-4H3,(H,13,16).
What are the key properties of 4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide?
4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide has a molecular weight of 227.35 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide is sourced from PubChem (CID 141156018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).