4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine

C15H21N — CID 144774592

IUPAC4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine
SMILESCC1=CN(c2ccc(C)cc2)CCC1(C)C
InChIInChI=1S/C15H21N/c1-12-5-7-14(8-6-12)16-10-9-15(3,4)13(2)11-16/h5-8,11H,9-10H2,1-4H3
InChIKeyZGNGRCIBAINUMZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.14
Rot. Bonds1

About 4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine

4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine (PubChem CID 144774592) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine
PubChem CID144774592
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine
SMILESCC1=CN(c2ccc(C)cc2)CCC1(C)C
InChIInChI=1S/C15H21N/c1-12-5-7-14(8-6-12)16-10-9-15(3,4)13(2)11-16/h5-8,11H,9-10H2,1-4H3
InChIKeyZGNGRCIBAINUMZ-UHFFFAOYSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2,2,6,6-tetramethyl-1-(4-methylphenyl)piperidine
CID 11831278
4,4-difluoro-1-(4-methylphenyl)piperidine;ethane
CID 145061539
2,3-bis(4-methylphenyl)oxadiaziridine
CID 174939359
1-[1-[4-(dimethylamino)phenyl]-4,4-dimethyl-2,3-dihydropyridin-5-yl]-2-iodo-2-methylpropan-1-one
CID 144774513
1-bromo-3-(4-methylphenyl)-2H-imidazole
CID 174729207
2-methyl-7-(4-methylphenyl)-2,7-diazaspiro[3.5]nonane
CID 163257013
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
1,3-bis(4-methylphenyl)-1,3-diazinane
CID 22020050
3,3-dimethyl-1-(4-methylphenyl)piperidin-4-ol
CID 117024204
1,1-dihydroxy-4-(4-methylphenyl)-1,4-thiazinane;ethane
CID 144607446
6-(4-methylphenyl)-6-azaspiro[2.5]octan-7-one
CID 144760105
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine?
The IUPAC name of 4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine (CID 144774592) is 4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine.
What is the SMILES notation for 4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine?
The canonical SMILES for 4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine is CC1=CN(c2ccc(C)cc2)CCC1(C)C.
What is the InChIKey of 4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine?
The InChIKey is ZGNGRCIBAINUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-12-5-7-14(8-6-12)16-10-9-15(3,4)13(2)11-16/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine?
4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine has a molecular weight of 215.34 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-1-(4-methylphenyl)-2,3-dihydropyridine is sourced from PubChem (CID 144774592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).