6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine

C17H23N — CID 91208052

IUPAC6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine
SMILESC=C(CCc1cc(C)ccc1C)C(C)=C/C=N/C
InChIInChI=1S/C17H23N/c1-13-6-7-16(4)17(12-13)9-8-14(2)15(3)10-11-18-5/h6-7,10-12H,2,8-9H2,1,3-5H3/b15-10?,18-11+
InChIKeyWYQYMRZPAJJHPQ-UWVOVALQSA-N
MW241.38 g/mol
LogP4.44
Rot. Bonds5

About 6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine

6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine (PubChem CID 91208052) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine
PubChem CID91208052
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine
SMILESC=C(CCc1cc(C)ccc1C)C(C)=C/C=N/C
InChIInChI=1S/C17H23N/c1-13-6-7-16(4)17(12-13)9-8-14(2)15(3)10-11-18-5/h6-7,10-12H,2,8-9H2,1,3-5H3/b15-10?,18-11+
InChIKeyWYQYMRZPAJJHPQ-UWVOVALQSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.44
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'}

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Related Compounds

1,4-dimethyl-2-(3-phenylbut-3-enyl)benzene;ethane
CID 142406851
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
dihydroxy(oxo)phosphanium;3-(2,5-dimethylphenyl)propanoic acid
CID 174848478
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene
CID 144628046
2,4-dimethyl-1-(3-methyl-2-methylidenebut-3-enyl)benzene
CID 143489955
2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene
CID 123452679
2-butyl-1,4-dimethylbenzene;ethane;ethene
CID 177226937
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
CID 24726343
CID 68591460
CID 68591460
cesium 4-(2,5-dimethylphenyl)butanoate
CID 140689556

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine?
The IUPAC name of 6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine (CID 91208052) is 6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine.
What is the SMILES notation for 6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine?
The canonical SMILES for 6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine is C=C(CCc1cc(C)ccc1C)C(C)=C/C=N/C.
What is the InChIKey of 6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine?
The InChIKey is WYQYMRZPAJJHPQ-UWVOVALQSA-N. The full InChI is InChI=1S/C17H23N/c1-13-6-7-16(4)17(12-13)9-8-14(2)15(3)10-11-18-5/h6-7,10-12H,2,8-9H2,1,3-5H3/b15-10?,18-11+.
What are the key properties of 6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine?
6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine has a molecular weight of 241.38 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine is sourced from PubChem (CID 91208052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).