2,4-dimethyl-6-methylideneoct-7-en-1-imine

C11H19N — CID 146259131

IUPAC2,4-dimethyl-6-methylideneoct-7-en-1-imine
SMILES[H]/N=C/C(C)CC(C)CC(=C)C=C
InChIInChI=1S/C11H19N/c1-5-9(2)6-10(3)7-11(4)8-12/h5,8,10-12H,1-2,6-7H2,3-4H3/b12-8+
InChIKeyDTBVHYLEWMFBGZ-XYOKQWHBSA-N
MW165.28 g/mol
LogP3.43
Rot. Bonds6

About 2,4-dimethyl-6-methylideneoct-7-en-1-imine

2,4-dimethyl-6-methylideneoct-7-en-1-imine (PubChem CID 146259131) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2,4-dimethyl-6-methylideneoct-7-en-1-imine.

Molecular Properties

Compound Name2,4-dimethyl-6-methylideneoct-7-en-1-imine
PubChem CID146259131
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2,4-dimethyl-6-methylideneoct-7-en-1-imine
SMILES[H]/N=C/C(C)CC(C)CC(=C)C=C
InChIInChI=1S/C11H19N/c1-5-9(2)6-10(3)7-11(4)8-12/h5,8,10-12H,1-2,6-7H2,3-4H3/b12-8+
InChIKeyDTBVHYLEWMFBGZ-XYOKQWHBSA-N
XLogP3.43
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-6-methylideneoct-7-en-1-imine 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 2,4-dimethyl-6-methylideneoct-7-en-1-imine?
The IUPAC name of 2,4-dimethyl-6-methylideneoct-7-en-1-imine (CID 146259131) is 2,4-dimethyl-6-methylideneoct-7-en-1-imine.
What is the SMILES notation for 2,4-dimethyl-6-methylideneoct-7-en-1-imine?
The canonical SMILES for 2,4-dimethyl-6-methylideneoct-7-en-1-imine is [H]/N=C/C(C)CC(C)CC(=C)C=C.
What is the InChIKey of 2,4-dimethyl-6-methylideneoct-7-en-1-imine?
The InChIKey is DTBVHYLEWMFBGZ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H19N/c1-5-9(2)6-10(3)7-11(4)8-12/h5,8,10-12H,1-2,6-7H2,3-4H3/b12-8+.
What are the key properties of 2,4-dimethyl-6-methylideneoct-7-en-1-imine?
2,4-dimethyl-6-methylideneoct-7-en-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-methylideneoct-7-en-1-imine is sourced from PubChem (CID 146259131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).