(2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide

C11H18N2O — CID 155176584

IUPAC(2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide
SMILESC=N/C(=C\C=C/C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H18N2O/c1-6-7-8-9(12-5)10(14)13-11(2,3)4/h6-8H,5H2,1-4H3,(H,13,14)/b7-6-,9-8-
InChIKeyLTYDKZPXXRZWOS-JPDBVBESSA-N
MW194.28 g/mol
LogP2.06
Rot. Bonds3

About (2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide

(2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide (PubChem CID 155176584) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide
PubChem CID155176584
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide
SMILESC=N/C(=C\C=C/C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H18N2O/c1-6-7-8-9(12-5)10(14)13-11(2,3)4/h6-8H,5H2,1-4H3,(H,13,14)/b7-6-,9-8-
InChIKeyLTYDKZPXXRZWOS-JPDBVBESSA-N
XLogP2.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide 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 (2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide?
The IUPAC name of (2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide (CID 155176584) is (2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide.
What is the SMILES notation for (2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide?
The canonical SMILES for (2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide is C=N/C(=C\C=C/C)C(=O)NC(C)(C)C.
What is the InChIKey of (2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide?
The InChIKey is LTYDKZPXXRZWOS-JPDBVBESSA-N. The full InChI is InChI=1S/C11H18N2O/c1-6-7-8-9(12-5)10(14)13-11(2,3)4/h6-8H,5H2,1-4H3,(H,13,14)/b7-6-,9-8-.
What are the key properties of (2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide?
(2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide has a molecular weight of 194.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide is sourced from PubChem (CID 155176584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).