(4Z)-4-(methylhydrazinylidene)-N-(2-methylpropyl)hex-5-enamide

C11H21N3O — CID 170982001

IUPAC(4Z)-4-(methylhydrazinylidene)-N-(2-methylpropyl)hex-5-enamide
SMILESC=C/C(CCC(=O)NCC(C)C)=N\NC
InChIInChI=1S/C11H21N3O/c1-5-10(14-12-4)6-7-11(15)13-8-9(2)3/h5,9,12H,1,6-8H2,2-4H3,(H,13,15)/b14-10+
InChIKeyUWHOCLYMMTVTFO-GXDHUFHOSA-N
MW211.31 g/mol
LogP1.30
Rot. Bonds7

About (4Z)-4-(methylhydrazinylidene)-N-(2-methylpropyl)hex-5-enamide

(4Z)-4-(methylhydrazinylidene)-N-(2-methylpropyl)hex-5-enamide (PubChem CID 170982001) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (4Z)-4-(methylhydrazinylidene)-N-(2-methylpropyl)hex-5-enamide.

Molecular Properties

Compound Name(4Z)-4-(methylhydrazinylidene)-N-(2-methylpropyl)hex-5-enamide
PubChem CID170982001
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(4Z)-4-(methylhydrazinylidene)-N-(2-methylpropyl)hex-5-enamide
SMILESC=C/C(CCC(=O)NCC(C)C)=N\NC
InChIInChI=1S/C11H21N3O/c1-5-10(14-12-4)6-7-11(15)13-8-9(2)3/h5,9,12H,1,6-8H2,2-4H3,(H,13,15)/b14-10+
InChIKeyUWHOCLYMMTVTFO-GXDHUFHOSA-N
XLogP1.30
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(methylhydrazinylidene)-N-(2-methylpropyl)hex-5-enamide?
The IUPAC name of (4Z)-4-(methylhydrazinylidene)-N-(2-methylpropyl)hex-5-enamide (CID 170982001) is (4Z)-4-(methylhydrazinylidene)-N-(2-methylpropyl)hex-5-enamide.
What is the SMILES notation for (4Z)-4-(methylhydrazinylidene)-N-(2-methylpropyl)hex-5-enamide?
The canonical SMILES for (4Z)-4-(methylhydrazinylidene)-N-(2-methylpropyl)hex-5-enamide is C=C/C(CCC(=O)NCC(C)C)=N\NC.
What is the InChIKey of (4Z)-4-(methylhydrazinylidene)-N-(2-methylpropyl)hex-5-enamide?
The InChIKey is UWHOCLYMMTVTFO-GXDHUFHOSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-10(14-12-4)6-7-11(15)13-8-9(2)3/h5,9,12H,1,6-8H2,2-4H3,(H,13,15)/b14-10+.
What are the key properties of (4Z)-4-(methylhydrazinylidene)-N-(2-methylpropyl)hex-5-enamide?
(4Z)-4-(methylhydrazinylidene)-N-(2-methylpropyl)hex-5-enamide has a molecular weight of 211.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(methylhydrazinylidene)-N-(2-methylpropyl)hex-5-enamide is sourced from PubChem (CID 170982001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).