5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine

C16H23N — CID 102018956

IUPAC5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine
SMILESCC1(C)CCCN=C1CCCc1ccccc1
InChIInChI=1S/C16H23N/c1-16(2)12-7-13-17-15(16)11-6-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKeyNKUUQAJSAXVAEK-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.27
Rot. Bonds4

About 5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine

5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine (PubChem CID 102018956) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine
PubChem CID102018956
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine
SMILESCC1(C)CCCN=C1CCCc1ccccc1
InChIInChI=1S/C16H23N/c1-16(2)12-7-13-17-15(16)11-6-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKeyNKUUQAJSAXVAEK-UHFFFAOYSA-N
XLogP4.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethyl-2-(3-phenylpropyl)-5H-1,3-oxazole
CID 10727505
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
2-(3-phenylpropyl)phenolate
CID 123450771
4-phenylbutylbenzene
CID 141301927
1-(1-methylcyclopentyl)-4-phenylbutan-1-amine
CID 115849307
5-methyl-5-(3-phenylpropyl)-1,3-dioxane-4,6-dione
CID 118947181
4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151412
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine?
The IUPAC name of 5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine (CID 102018956) is 5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine is CC1(C)CCCN=C1CCCc1ccccc1.
What is the InChIKey of 5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine?
The InChIKey is NKUUQAJSAXVAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-16(2)12-7-13-17-15(16)11-6-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3.
What are the key properties of 5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine?
5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine has a molecular weight of 229.37 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6-(3-phenylpropyl)-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 102018956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).