N-butyl-N',2-dimethylprop-2-enehydrazide

C9H18N2O — CID 22336369

IUPACN-butyl-N',2-dimethylprop-2-enehydrazide
SMILESC=C(C)C(=O)N(CCCC)NC
InChIInChI=1S/C9H18N2O/c1-5-6-7-11(10-4)9(12)8(2)3/h10H,2,5-7H2,1,3-4H3
InChIKeyMUTFRJSSQHTUFY-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.33
Rot. Bonds5

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

N-butyl-N',2-dimethylprop-2-enehydrazide (PubChem CID 22336369) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-butyl-N',2-dimethylprop-2-enehydrazide.

Molecular Properties

Compound NameN-butyl-N',2-dimethylprop-2-enehydrazide
PubChem CID22336369
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-butyl-N',2-dimethylprop-2-enehydrazide
SMILESC=C(C)C(=O)N(CCCC)NC
InChIInChI=1S/C9H18N2O/c1-5-6-7-11(10-4)9(12)8(2)3/h10H,2,5-7H2,1,3-4H3
InChIKeyMUTFRJSSQHTUFY-UHFFFAOYSA-N
XLogP1.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.33
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-butyl-N',2-dimethylprop-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

Frequently Asked Questions

What is the IUPAC name of N-butyl-N',2-dimethylprop-2-enehydrazide?
The IUPAC name of N-butyl-N',2-dimethylprop-2-enehydrazide (CID 22336369) is N-butyl-N',2-dimethylprop-2-enehydrazide.
What is the SMILES notation for N-butyl-N',2-dimethylprop-2-enehydrazide?
The canonical SMILES for N-butyl-N',2-dimethylprop-2-enehydrazide is C=C(C)C(=O)N(CCCC)NC.
What is the InChIKey of N-butyl-N',2-dimethylprop-2-enehydrazide?
The InChIKey is MUTFRJSSQHTUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-6-7-11(10-4)9(12)8(2)3/h10H,2,5-7H2,1,3-4H3.
What are the key properties of N-butyl-N',2-dimethylprop-2-enehydrazide?
N-butyl-N',2-dimethylprop-2-enehydrazide has a molecular weight of 170.26 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N',2-dimethylprop-2-enehydrazide is sourced from PubChem (CID 22336369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).