N-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine

C11H19N — CID 130313510

IUPACN-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C(/C)CC(C)(C)C
InChIInChI=1S/C11H19N/c1-10(7-6-8-12-5)9-11(2,3)4/h6-8H,5,9H2,1-4H3/b8-6-,10-7+
InChIKeyPUAWIFMDCQKMGL-GOOBONSCSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds3

About N-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine

N-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine (PubChem CID 130313510) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine
PubChem CID130313510
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C(/C)CC(C)(C)C
InChIInChI=1S/C11H19N/c1-10(7-6-8-12-5)9-11(2,3)4/h6-8H,5,9H2,1-4H3/b8-6-,10-7+
InChIKeyPUAWIFMDCQKMGL-GOOBONSCSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
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-[(1Z,3E)-4,6,6-trimethylhepta-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-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine (CID 130313510) is N-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine is C=N/C=C\C=C(/C)CC(C)(C)C.
What is the InChIKey of N-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine?
The InChIKey is PUAWIFMDCQKMGL-GOOBONSCSA-N. The full InChI is InChI=1S/C11H19N/c1-10(7-6-8-12-5)9-11(2,3)4/h6-8H,5,9H2,1-4H3/b8-6-,10-7+.
What are the key properties of N-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine?
N-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-4,6,6-trimethylhepta-1,3-dienyl]methanimine is sourced from PubChem (CID 130313510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).