2,6-dimethyl-N-propylhept-5-en-1-imine

C12H23N — CID 123518183

IUPAC2,6-dimethyl-N-propylhept-5-en-1-imine
SMILESCCC/N=C/C(C)CCC=C(C)C
InChIInChI=1S/C12H23N/c1-5-9-13-10-12(4)8-6-7-11(2)3/h7,10,12H,5-6,8-9H2,1-4H3/b13-10+
InChIKeyQZJVATVQYYSKTK-JLHYYAGUSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds6

About 2,6-dimethyl-N-propylhept-5-en-1-imine

2,6-dimethyl-N-propylhept-5-en-1-imine (PubChem CID 123518183) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2,6-dimethyl-N-propylhept-5-en-1-imine.

Molecular Properties

Compound Name2,6-dimethyl-N-propylhept-5-en-1-imine
PubChem CID123518183
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2,6-dimethyl-N-propylhept-5-en-1-imine
SMILESCCC/N=C/C(C)CCC=C(C)C
InChIInChI=1S/C12H23N/c1-5-9-13-10-12(4)8-6-7-11(2)3/h7,10,12H,5-6,8-9H2,1-4H3/b13-10+
InChIKeyQZJVATVQYYSKTK-JLHYYAGUSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-N-propylhept-5-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 2,6-dimethyl-N-propylhept-5-en-1-imine?
The IUPAC name of 2,6-dimethyl-N-propylhept-5-en-1-imine (CID 123518183) is 2,6-dimethyl-N-propylhept-5-en-1-imine.
What is the SMILES notation for 2,6-dimethyl-N-propylhept-5-en-1-imine?
The canonical SMILES for 2,6-dimethyl-N-propylhept-5-en-1-imine is CCC/N=C/C(C)CCC=C(C)C.
What is the InChIKey of 2,6-dimethyl-N-propylhept-5-en-1-imine?
The InChIKey is QZJVATVQYYSKTK-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H23N/c1-5-9-13-10-12(4)8-6-7-11(2)3/h7,10,12H,5-6,8-9H2,1-4H3/b13-10+.
What are the key properties of 2,6-dimethyl-N-propylhept-5-en-1-imine?
2,6-dimethyl-N-propylhept-5-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-propylhept-5-en-1-imine is sourced from PubChem (CID 123518183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).