N'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide

C11H18N2 — CID 126626172

IUPACN'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide
SMILESC=C/C(=C\N=C\N=C\C)C(C)(C)C
InChIInChI=1S/C11H18N2/c1-6-10(11(3,4)5)8-13-9-12-7-2/h6-9H,1H2,2-5H3/b10-8+,12-7+,13-9+
InChIKeyNCBQMGTWNNRENN-AWERUGAYSA-N
MW178.28 g/mol
LogP3.22
Rot. Bonds3

About N'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide

N'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide (PubChem CID 126626172) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide
PubChem CID126626172
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide
SMILESC=C/C(=C\N=C\N=C\C)C(C)(C)C
InChIInChI=1S/C11H18N2/c1-6-10(11(3,4)5)8-13-9-12-7-2/h6-9H,1H2,2-5H3/b10-8+,12-7+,13-9+
InChIKeyNCBQMGTWNNRENN-AWERUGAYSA-N
XLogP3.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide 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'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide?
The IUPAC name of N'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide (CID 126626172) is N'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide.
What is the SMILES notation for N'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide?
The canonical SMILES for N'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide is C=C/C(=C\N=C\N=C\C)C(C)(C)C.
What is the InChIKey of N'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide?
The InChIKey is NCBQMGTWNNRENN-AWERUGAYSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-10(11(3,4)5)8-13-9-12-7-2/h6-9H,1H2,2-5H3/b10-8+,12-7+,13-9+.
What are the key properties of N'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide?
N'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide has a molecular weight of 178.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E)-2-tert-butylbuta-1,3-dienyl]-N-ethylidenemethanimidamide is sourced from PubChem (CID 126626172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).