3,7-dimethyl-N-phenyloct-6-en-1-imine

C16H23N — CID 3016386

IUPAC3,7-dimethyl-N-phenyloct-6-en-1-imine
SMILESCC(C)=CCCC(C)C/C=N/c1ccccc1
InChIInChI=1S/C16H23N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3/b17-13+
InChIKeyYISAHFPSGNFFAI-GHRIWEEISA-N
MW229.37 g/mol
LogP5.16
Rot. Bonds6

About 3,7-dimethyl-N-phenyloct-6-en-1-imine

3,7-dimethyl-N-phenyloct-6-en-1-imine (PubChem CID 3016386) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 3,7-dimethyl-N-phenyloct-6-en-1-imine.

Molecular Properties

Compound Name3,7-dimethyl-N-phenyloct-6-en-1-imine
PubChem CID3016386
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name3,7-dimethyl-N-phenyloct-6-en-1-imine
SMILESCC(C)=CCCC(C)C/C=N/c1ccccc1
InChIInChI=1S/C16H23N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3/b17-13+
InChIKeyYISAHFPSGNFFAI-GHRIWEEISA-N
XLogP5.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.37
LogP ≤ 55.16
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'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-phenyloct-6-en-1-imine?
The IUPAC name of 3,7-dimethyl-N-phenyloct-6-en-1-imine (CID 3016386) is 3,7-dimethyl-N-phenyloct-6-en-1-imine.
What is the SMILES notation for 3,7-dimethyl-N-phenyloct-6-en-1-imine?
The canonical SMILES for 3,7-dimethyl-N-phenyloct-6-en-1-imine is CC(C)=CCCC(C)C/C=N/c1ccccc1.
What is the InChIKey of 3,7-dimethyl-N-phenyloct-6-en-1-imine?
The InChIKey is YISAHFPSGNFFAI-GHRIWEEISA-N. The full InChI is InChI=1S/C16H23N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3/b17-13+.
What are the key properties of 3,7-dimethyl-N-phenyloct-6-en-1-imine?
3,7-dimethyl-N-phenyloct-6-en-1-imine has a molecular weight of 229.37 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-phenyloct-6-en-1-imine is sourced from PubChem (CID 3016386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).