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

C9H15N — CID 142188654

IUPACN-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine
SMILESC=C/C(=C\N=C)C(C)(C)C
InChIInChI=1S/C9H15N/c1-6-8(7-10-5)9(2,3)4/h6-7H,1,5H2,2-4H3/b8-7+
InChIKeyNWBJGOFESFVEPS-BQYQJAHWSA-N
MW137.23 g/mol
LogP2.80
Rot. Bonds2

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

N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine (PubChem CID 142188654) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine
PubChem CID142188654
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine
SMILESC=C/C(=C\N=C)C(C)(C)C
InChIInChI=1S/C9H15N/c1-6-8(7-10-5)9(2,3)4/h6-7H,1,5H2,2-4H3/b8-7+
InChIKeyNWBJGOFESFVEPS-BQYQJAHWSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine 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]methanimine?
The IUPAC name of N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine (CID 142188654) is N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine is C=C/C(=C\N=C)C(C)(C)C.
What is the InChIKey of N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine?
The InChIKey is NWBJGOFESFVEPS-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H15N/c1-6-8(7-10-5)9(2,3)4/h6-7H,1,5H2,2-4H3/b8-7+.
What are the key properties of N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine?
N-[(1E)-2-tert-butylbuta-1,3-dienyl]methanimine has a molecular weight of 137.23 g/mol, XLogP of 2.80, 2 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]methanimine is sourced from PubChem (CID 142188654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).