N',N'-dibutyl-2-methylprop-2-enehydrazide

C12H24N2O — CID 19386588

IUPACN',N'-dibutyl-2-methylprop-2-enehydrazide
SMILESC=C(C)C(=O)NN(CCCC)CCCC
InChIInChI=1S/C12H24N2O/c1-5-7-9-14(10-8-6-2)13-12(15)11(3)4/h3,5-10H2,1-2,4H3,(H,13,15)
InChIKeyIKXUNNMTHKVRKZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.50
Rot. Bonds8

About N',N'-dibutyl-2-methylprop-2-enehydrazide

N',N'-dibutyl-2-methylprop-2-enehydrazide (PubChem CID 19386588) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N',N'-dibutyl-2-methylprop-2-enehydrazide.

Molecular Properties

Compound NameN',N'-dibutyl-2-methylprop-2-enehydrazide
PubChem CID19386588
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN',N'-dibutyl-2-methylprop-2-enehydrazide
SMILESC=C(C)C(=O)NN(CCCC)CCCC
InChIInChI=1S/C12H24N2O/c1-5-7-9-14(10-8-6-2)13-12(15)11(3)4/h3,5-10H2,1-2,4H3,(H,13,15)
InChIKeyIKXUNNMTHKVRKZ-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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N',N'-dibutyl-2-methylprop-2-enehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Propenamide, 2-methyl-N-1-piperidinyl-
CID 11557354
N',N',2-trimethylprop-2-enehydrazide
CID 22020426
2-methyl-N-pyrrolidin-1-ylprop-2-enamide
CID 69917671
Trimethyl-[(2-methylprop-2-enoylamino)-propylamino]azanium
CID 17820723
Tris(2-methylprop-2-enoylamino)-propylazanium
CID 18188491
Trimethyl-(2-methylprop-2-enoylamino)azanium
CID 19693224
Triethyl-(2-methylprop-2-enoylamino)azanium
CID 19788941
N',N'-diethyl-2-methylidenepentanehydrazide
CID 21686577
Dimethyl-(2-methylprop-2-enoylamino)-propylazanium chloride
CID 21751388
Dimethyl-(2-methylprop-2-enoylamino)-propylazanium
CID 21751389
N-butyl-N',2-dimethylprop-2-enehydrazide
CID 22336369
N-butyl-2-methylprop-2-enehydrazide
CID 22336374

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-2-methylprop-2-enehydrazide?
The IUPAC name of N',N'-dibutyl-2-methylprop-2-enehydrazide (CID 19386588) is N',N'-dibutyl-2-methylprop-2-enehydrazide.
What is the SMILES notation for N',N'-dibutyl-2-methylprop-2-enehydrazide?
The canonical SMILES for N',N'-dibutyl-2-methylprop-2-enehydrazide is C=C(C)C(=O)NN(CCCC)CCCC.
What is the InChIKey of N',N'-dibutyl-2-methylprop-2-enehydrazide?
The InChIKey is IKXUNNMTHKVRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-7-9-14(10-8-6-2)13-12(15)11(3)4/h3,5-10H2,1-2,4H3,(H,13,15).
What are the key properties of N',N'-dibutyl-2-methylprop-2-enehydrazide?
N',N'-dibutyl-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',N'-dibutyl-2-methylprop-2-enehydrazide is sourced from PubChem (CID 19386588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).